O3-ethyl O5-methyl 2-[[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propyl]sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-[[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propyl]sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-[[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-hydroxy-propyl]sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[[3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-2-hydroxypropyl]thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-[[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-hydroxypropyl]sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[[3-[4-[bis(4-fluorophenyl)methyl]piperazino]-2-hydroxy-propyl]thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C38H42F2N4O7S MolecularWeight: 736.824486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSCC(CN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSCC(CN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O

InChI

InChI=1S/C38H42F2N4O7S/c1-4-51-38(47)35-32(41-24(2)33(37(46)50-3)34(35)27-6-5-7-30(20-27)44(48)49)23-52-22-31(45)21-42-16-18-43(19-17-42)36(25-8-12-28(39)13-9-25)26-10-14-29(40)15-11-26/h5-15,20,31,34,36,41,45H,4,16-19,21-23H2,1-3H3