[(3-oxidanylidenecyclohexen-1-yl)-(phenylmethyl)amino] 2,3,4,5,6-pentadeuteriobenzoate

Systemtic Name: [(3-oxidanylidenecyclohexen-1-yl)-(phenylmethyl)amino] 2,3,4,5,6-pentadeuteriobenzoate Openeye Name: [benzyl-(3-oxocyclohexen-1-yl)amino] 2,3,4,5,6-pentadeuteriobenzoate CAS Name: 2,3,4,5,6-pentadeuteriobenzoic acid [(3-oxo-1-cyclohexenyl)-(phenylmethyl)amino] ester IUPAC Name: [benzyl-(3-oxocyclohexen-1-yl)amino] 2,3,4,5,6-pentadeuteriobenzoate Traditional Name: 2,3,4,5,6-pentadeuteriobenzoic acid [benzyl-(3-ketocyclohexen-1-yl)amino] ester Formula: C20H19NO3 MolecularWeight: 326.400569

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)N(CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)ON(CC2=CC=CC=C2)C3=CC(=O)CCC3)[2H])[2H]

InChI

InChI=1S/C20H19NO3/c22-19-13-7-12-18(14-19)21(15-16-8-3-1-4-9-16)24-20(23)17-10-5-2-6-11-17/h1-6,8-11,14H,7,12-13,15H2/i2D,5D,6D,10D,11D