methyl (2S)-3-methyl-2-[[(Z)-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-en-2-yl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[(Z)-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-en-2-yl]amino]butanoate Openeye Name: methyl (2S)-2-[[(Z)-3-(benzylamino)-1-methyl-3-oxo-prop-1-enyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(Z)-4-oxo-4-[(phenylmethyl)amino]but-2-en-2-yl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(Z)-4-(benzylamino)-4-oxobut-2-en-2-yl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(Z)-3-(benzylamino)-3-keto-1-methyl-prop-1-enyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N/C(=C\C(=O)NCC1=CC=CC=C1)/C

InChI

InChI=1S/C17H24N2O3/c1-12(2)16(17(21)22-4)19-13(3)10-15(20)18-11-14-8-6-5-7-9-14/h5-10,12,16,19H,11H2,1-4H3,(H,18,20)/b13-10-/t16-/m0/s1