methyl (4S)-2,6-dimethyl-5-[[3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4S)-2,6-dimethyl-5-[[3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-2,6-dimethyl-5-[[2-methyl-1-(4-phenylpiperazine-1-carbonyl)propyl]carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-2,6-dimethyl-5-[[[3-methyl-1-oxo-1-(4-phenyl-1-piperazinyl)butan-2-yl]amino]-oxomethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,6-dimethyl-5-[[3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-2,6-dimethyl-5-[[2-methyl-1-(4-phenylpiperazine-1-carbonyl)propyl]carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C31H37N5O6 MolecularWeight: 575.65538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC(C(C)C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC(C(C)C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C31H37N5O6/c1-19(2)28(30(38)35-16-14-34(15-17-35)23-11-7-6-8-12-23)33-29(37)25-20(3)32-21(4)26(31(39)42-5)27(25)22-10-9-13-24(18-22)36(40)41/h6-13,18-19,27-28,32H,14-17H2,1-5H3,(H,33,37)/t27-,28?/m0/s1