methyl (2S)-2-[[(E)-1-(4-chlorophenyl)-3-oxidanylidene-5-phenyl-pent-4-enyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(E)-1-(4-chlorophenyl)-3-oxidanylidene-5-phenyl-pent-4-enyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(E)-1-(4-chlorophenyl)-3-oxo-5-phenyl-pent-4-enyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(E)-1-(4-chlorophenyl)-3-oxo-5-phenylpent-4-enyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-1-(4-chlorophenyl)-3-oxo-5-phenylpent-4-enyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(E)-1-(4-chlorophenyl)-3-keto-5-phenyl-pent-4-enyl]amino]-3-methyl-butyric acid methyl ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(CC(=O)C=CC1=CC=CC=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(CC(=O)/C=C/C1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H26ClNO3/c1-16(2)22(23(27)28-3)25-21(18-10-12-19(24)13-11-18)15-20(26)14-9-17-7-5-4-6-8-17/h4-14,16,21-22,25H,15H2,1-3H3/b14-9+/t21?,22-/m0/s1