O3-[2-[ethanoyl-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]amino]ethyl] O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-[2-[ethanoyl-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]amino]ethyl] O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O3-[2-[N-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]anilino]ethyl] O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-[2-[N-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]ethyl] ester O5-methyl ester IUPAC Name: 3-O-[2-[N-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]ethyl] 5-O-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-[2-[N-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]anilino]ethyl] ester O5-methyl ester Formula: C32H39N5O9 MolecularWeight: 637.68016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(N1)C#N)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCN(C3=CC=C(C=C3)OCC(CNC(C)C)O)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(CC(C(N1)C#N)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCN(C3=CC=C(C=C3)OCC(CNC(C)C)O)C(=O)C)C(=O)OC

InChI

InChI=1S/C32H39N5O9/c1-20(2)34-18-26(39)19-46-27-12-10-24(11-13-27)36(22(4)38)14-15-45-31(41)32(23-6-8-25(9-7-23)37(42)43)16-28(30(40)44-5)21(3)35-29(32)17-33/h6-13,20,26,29,34-35,39H,14-16,18-19H2,1-5H3