methyl 4-oxidanylidene-4-[6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl]butanoate Openeye Name: methyl 4-[2-(benzylamino)-6-oxo-cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-oxo-4-[6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(benzylamino)-6-oxocyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-[2-(benzylamino)-6-keto-cyclohexen-1-yl]-4-keto-butyric acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=C(CCCC1=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)C1=C(CCCC1=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4/c1-23-17(22)11-10-16(21)18-14(8-5-9-15(18)20)19-12-13-6-3-2-4-7-13/h2-4,6-7,19H,5,8-12H2,1H3