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

Systemtic Name: (3S)-1-[4-[ethyl(phenyl)amino]-4-oxidanylidene-butanoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[4-(N-ethylanilino)-4-oxo-butanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[4-(N-ethylanilino)-1,4-dioxobutyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[4-(N-ethylanilino)-4-oxobutanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-(N-ethylanilino)-4-keto-butanoyl]nipecotate Formula: C18H23N2O4- MolecularWeight: 331.38622

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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)/p-1/t14-/m0/s1