(2S)-3-methyl-2-(2-phenoxyethanoylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-phenoxyethanoylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[4-(pyrrolidinomethyl)benzyl]butyramide Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)CN2CCCC2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)CN2CCCC2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-19(2)24(27-23(29)18-31-22-8-4-3-5-9-22)25(30)26-16-20-10-12-21(13-11-20)17-28-14-6-7-15-28/h3-5,8-13,19,24H,6-7,14-18H2,1-2H3,(H,26,30)(H,27,29)/t24-/m0/s1