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

Systemtic Name: O3-hexyl O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-1-[[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]amino]-2,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-hexyl O5-methyl 2-cyano-1-[4-[2-hydroxy-3-(isopropylamino)propoxy]anilino]-6-methyl-3-(4-nitrophenyl)-2,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-cyano-1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-6-methyl-3-(4-nitrophenyl)-2,4-dihydropyridine-3,5-dicarboxylic acid O3-hexyl ester O5-methyl ester IUPAC Name: 3-O-hexyl 5-O-methyl 2-cyano-1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-6-methyl-3-(4-nitrophenyl)-2,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-cyano-1-[4-[2-hydroxy-3-(isopropylamino)propoxy]anilino]-6-methyl-3-(4-nitrophenyl)-2,4-dihydropyridine-3,5-dicarboxylic acid O3-hexyl ester O5-methyl ester Formula: C34H45N5O8 MolecularWeight: 651.7498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1(CC(=C(N(C1C#N)NC2=CC=C(C=C2)OCC(CNC(C)C)O)C)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1(CC(=C(N(C1C#N)NC2=CC=C(C=C2)OCC(CNC(C)C)O)C)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C34H45N5O8/c1-6-7-8-9-18-46-33(42)34(25-10-14-27(15-11-25)39(43)44)19-30(32(41)45-5)24(4)38(31(34)20-35)37-26-12-16-29(17-13-26)47-22-28(40)21-36-23(2)3/h10-17,23,28,31,36-37,40H,6-9,18-19,21-22H2,1-5H3