ethyl (3S)-1-[4-(dimethylamino)-4-oxidanylidene-butanoyl]-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(dimethylamino)-4-oxidanylidene-butanoyl]-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[4-(dimethylamino)-4-oxo-butanoyl]-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3S)-1-[4-(dimethylamino)-1,4-dioxobutyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(dimethylamino)-4-oxobutanoyl]-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[4-(dimethylamino)-4-keto-butanoyl]-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC(=O)N(C)C)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)CCC(=O)N(C)C)CCCC2=CC=CC=C2

InChI

InChI=1S/C23H34N2O4/c1-4-29-22(28)23(15-8-12-19-10-6-5-7-11-19)16-9-17-25(18-23)21(27)14-13-20(26)24(2)3/h5-7,10-11H,4,8-9,12-18H2,1-3H3/t23-/m0/s1