ethyl (2R)-2-[[(Z)-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-en-2-yl]amino]-2-phenyl-ethanoate

Systemtic Name: ethyl (2R)-2-[[(Z)-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-en-2-yl]amino]-2-phenyl-ethanoate Openeye Name: ethyl (2R)-2-[[(Z)-3-(benzylamino)-1-methyl-3-oxo-prop-1-enyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[(Z)-4-oxo-4-[(phenylmethyl)amino]but-2-en-2-yl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[(Z)-4-(benzylamino)-4-oxobut-2-en-2-yl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[(Z)-3-(benzylamino)-3-keto-1-methyl-prop-1-enyl]amino]-2-phenyl-acetic acid ethyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC(=CC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=CC=C1)N/C(=C\C(=O)NCC2=CC=CC=C2)/C

InChI

InChI=1S/C21H24N2O3/c1-3-26-21(25)20(18-12-8-5-9-13-18)23-16(2)14-19(24)22-15-17-10-6-4-7-11-17/h4-14,20,23H,3,15H2,1-2H3,(H,22,24)/b16-14-/t20-/m1/s1