2-[7-[(4-cyanophenyl)carbonylamino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-cyanophenyl)carbonylamino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-cyanobenzoyl)amino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[7-[[(4-cyanophenyl)-oxomethyl]amino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[7-[(4-cyanobenzoyl)amino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[7-[(4-cyanobenzoyl)amino]-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1CC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1C2=C(CCN1CC(=O)O)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O3/c1-2-19-18-11-17(8-7-15(18)9-10-24(19)13-20(25)26)23-21(27)16-5-3-14(12-22)4-6-16/h3-8,11,19H,2,9-10,13H2,1H3,(H,23,27)(H,25,26)