methyl (Z)-5,5-dimethyl-4-oxidanylidene-2-[(phenylmethyl)amino]hex-2-enoate

Systemtic Name: methyl (Z)-5,5-dimethyl-4-oxidanylidene-2-[(phenylmethyl)amino]hex-2-enoate Openeye Name: methyl (Z)-2-(benzylamino)-5,5-dimethyl-4-oxo-hex-2-enoate CAS Name: (Z)-5,5-dimethyl-4-oxo-2-[(phenylmethyl)amino]-2-hexenoic acid methyl ester IUPAC Name: methyl (Z)-2-(benzylamino)-5,5-dimethyl-4-oxohex-2-enoate Traditional Name: (Z)-2-(benzylamino)-4-keto-5,5-dimethyl-hex-2-enoic acid methyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=C(C(=O)OC)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)/C=C(/C(=O)OC)\NCC1=CC=CC=C1

InChI

InChI=1S/C16H21NO3/c1-16(2,3)14(18)10-13(15(19)20-4)17-11-12-8-6-5-7-9-12/h5-10,17H,11H2,1-4H3/b13-10-