(2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-veratryl-butyramide Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC(=C(C=C1)OC)OC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5/c1-15(2)21(24-20(25)14-29-17-8-6-5-7-9-17)22(26)23-13-16-10-11-18(27-3)19(12-16)28-4/h5-12,15,21H,13-14H2,1-4H3,(H,23,26)(H,24,25)/t21-/m0/s1