methyl 1-[[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]carbonyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]carbonyl]piperidine-2-carboxylate Openeye Name: methyl 1-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]piperidine-2-carboxylate CAS Name: 1-[[1-[3-(4-cyanophenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]piperidine-2-carboxylate Traditional Name: 1-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]pipecolinic acid methyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1CCCCN1C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H29N3O4/c1-34-27(33)24-6-2-3-15-30(24)26(32)22-12-13-23-21(17-22)5-4-16-29(23)25(31)14-11-19-7-9-20(18-28)10-8-19/h7-10,12-13,17,24H,2-6,11,14-16H2,1H3