(2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanamide

Systemtic Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanamide Openeye Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanamide CAS Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanamide IUPAC Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide Traditional Name: (2S)-N-[2-(dimethylaminomethyl)benzyl]-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyramide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1CN(C)C)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1CN(C)C)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H33N3O2/c1-19(2)26(27(32)28-17-22-11-5-6-12-23(22)18-30(3)4)29-25(31)16-21-14-9-13-20-10-7-8-15-24(20)21/h5-15,19,26H,16-18H2,1-4H3,(H,28,32)(H,29,31)/t26-/m0/s1