N-[(2S)-butan-2-yl]-5-(2-phenylmethoxyethanoylamino)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-5-(2-phenylmethoxyethanoylamino)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(2-benzyloxyacetyl)amino]-N-[(1S)-1-methylpropyl]-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(2S)-butan-2-yl]-5-[(1-oxo-2-phenylmethoxyethyl)amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2S)-butan-2-yl]-5-[(2-phenylmethoxyacetyl)amino]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(2-benzoxyacetyl)amino]-N-[(1S)-1-methylpropyl]-2-pyrrolidino-benzamide Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)COCC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(C=CC(=C1)NC(=O)COCC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C24H31N3O3/c1-3-18(2)25-24(29)21-15-20(11-12-22(21)27-13-7-8-14-27)26-23(28)17-30-16-19-9-5-4-6-10-19/h4-6,9-12,15,18H,3,7-8,13-14,16-17H2,1-2H3,(H,25,29)(H,26,28)/t18-/m0/s1