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

Systemtic Name: 2-[2-[[(3-aminophenyl)carbonylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[[(3-aminobenzoyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[[[(3-aminophenyl)-oxomethyl]hydrazo]-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[[(3-aminobenzoyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[[(3-aminobenzoyl)amino]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NNC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NNC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C19H20N4O4/c20-14-6-3-5-13(10-14)18(26)21-22-19(27)23-9-8-12-4-1-2-7-15(12)16(23)11-17(24)25/h1-7,10,16H,8-9,11,20H2,(H,21,26)(H,22,27)(H,24,25)