N-[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]-3-(3,4-dimethoxyphenyl)propanamide

Systemtic Name: N-[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]-3-(3,4-dimethoxyphenyl)propanamide Openeye Name: N-[(1S)-1-benzyl-3-chloro-2-oxo-propyl]-3-(3,4-dimethoxyphenyl)propanamide CAS Name: N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-3-(3,4-dimethoxyphenyl)propanamide IUPAC Name: N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-3-(3,4-dimethoxyphenyl)propanamide Traditional Name: N-[(1S)-1-benzyl-3-chloro-2-keto-propyl]-3-(3,4-dimethoxyphenyl)propionamide Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)CCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)CCl)OC

InChI

InChI=1S/C21H24ClNO4/c1-26-19-10-8-16(13-20(19)27-2)9-11-21(25)23-17(18(24)14-22)12-15-6-4-3-5-7-15/h3-8,10,13,17H,9,11-12,14H2,1-2H3,(H,23,25)/t17-/m0/s1