O3-ethyl O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-4-[2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-1-piperazin-1-yl-2,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-4-[2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-1-piperazin-1-yl-2,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-cyano-4-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethyl]-6-methyl-3-(4-nitrophenyl)-1-piperazin-1-yl-2,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-cyano-4-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-6-methyl-3-(4-nitrophenyl)-1-(1-piperazinyl)-2,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-cyano-4-[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-6-methyl-3-(4-nitrophenyl)-1-piperazin-1-yl-2,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-cyano-4-[2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]ethyl]-6-methyl-3-(4-nitrophenyl)-1-piperazino-2,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C36H48N6O8 MolecularWeight: 692.80172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=C(N(C1C#N)N2CCNCC2)C)C(=O)OC)CCC3=CC=C(C=C3)OCC(CNC(C)C)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1(C(C(=C(N(C1C#N)N2CCNCC2)C)C(=O)OC)CCC3=CC=C(C=C3)OCC(CNC(C)C)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C36H48N6O8/c1-6-49-35(45)36(27-10-12-28(13-11-27)42(46)47)31(16-9-26-7-14-30(15-8-26)50-23-29(43)22-39-24(2)3)33(34(44)48-5)25(4)41(32(36)21-37)40-19-17-38-18-20-40/h7-8,10-15,24,29,31-32,38-39,43H,6,9,16-20,22-23H2,1-5H3