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

Systemtic Name: 2-[1-[(4-cyanophenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[1-[[(4-cyanophenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[1-[(4-cyanobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C#N)CC(=O)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C#N)CC(=O)O

InChI

InChI=1S/C19H17N3O3/c20-11-13-5-7-15(8-6-13)19(25)21-18-16-4-2-1-3-14(16)9-10-22(18)12-17(23)24/h1-8,18H,9-10,12H2,(H,21,25)(H,23,24)