(2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-[2-(dimethylaminomethyl)benzyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butyramide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1CN(C)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1CN(C)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O3/c1-17(2)22(25-21(27)16-29-20-12-6-5-7-13-20)23(28)24-14-18-10-8-9-11-19(18)15-26(3)4/h5-13,17,22H,14-16H2,1-4H3,(H,24,28)(H,25,27)/t22-/m0/s1