O3-methyl O5-(2-piperidin-1-yl-1-thiophen-2-yl-ethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-(2-piperidin-1-yl-1-thiophen-2-yl-ethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-[2-(1-piperidyl)-1-(2-thienyl)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-(1-piperidinyl)-1-thiophen-2-ylethyl] ester IUPAC Name: 3-O-methyl 5-O-(2-piperidin-1-yl-1-thiophen-2-ylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-piperidino-1-(2-thienyl)ethyl] ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(CN2CCCCC2)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(CN2CCCCC2)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H31N3O6S/c1-17-23(26(31)35-3)25(19-9-7-10-20(15-19)30(33)34)24(18(2)28-17)27(32)36-21(22-11-8-14-37-22)16-29-12-5-4-6-13-29/h7-11,14-15,21,25,28H,4-6,12-13,16H2,1-3H3