(3S)-1-[4-[ethyl(phenyl)amino]-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[4-[ethyl(phenyl)amino]-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[4-(N-ethylanilino)-4-oxo-butanoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[4-(N-ethylanilino)-1,4-dioxobutyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[4-(N-ethylanilino)-4-oxobutanoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[4-(N-ethylanilino)-4-keto-butanoyl]nipecotic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)CCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)CCC(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C18H24N2O4/c1-2-20(15-8-4-3-5-9-15)17(22)11-10-16(21)19-12-6-7-14(13-19)18(23)24/h3-5,8-9,14H,2,6-7,10-13H2,1H3,(H,23,24)/t14-/m0/s1