(2S)-N-[(4-dimethylaminophenyl)methyl]-3-methyl-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-3-methyl-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-N-[4-(dimethylamino)benzyl]-3-methyl-2-[(2-phenylacetyl)amino]butyramide Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)N(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)N(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O2/c1-16(2)21(24-20(26)14-17-8-6-5-7-9-17)22(27)23-15-18-10-12-19(13-11-18)25(3)4/h5-13,16,21H,14-15H2,1-4H3,(H,23,27)(H,24,26)/t21-/m0/s1