2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(2-phenylbutanoylamino)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(2-phenylbutanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(2-phenylbutanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(1-oxo-2-phenylbutyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(2-phenylbutanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(2-phenylbutanoylamino)benzamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCOCC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCOCC

InChI

InChI=1S/C31H37N3O3/c1-3-27(24-12-6-5-7-13-24)31(36)33-26-15-16-29(28(21-26)30(35)32-18-10-20-37-4-2)34-19-17-23-11-8-9-14-25(23)22-34/h5-9,11-16,21,27H,3-4,10,17-20,22H2,1-2H3,(H,32,35)(H,33,36)