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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(3-phenylpropanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(3-phenylpropanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(1-oxo-3-phenylpropyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(3-phenylpropanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(hydrocinnamoylamino)benzamide Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C30H35N3O3/c1-2-36-20-8-18-31-30(35)27-21-26(32-29(34)16-13-23-9-4-3-5-10-23)14-15-28(27)33-19-17-24-11-6-7-12-25(24)22-33/h3-7,9-12,14-15,21H,2,8,13,16-20,22H2,1H3,(H,31,35)(H,32,34)