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

Systemtic Name: 2-[7-[[4-(aminomethyl)phenyl]carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[7-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[7-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[7-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)CN)CC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)CN)CC(=O)O

InChI

InChI=1S/C19H21N3O3/c20-10-13-1-3-15(4-2-13)19(25)21-17-6-5-14-7-8-22(12-18(23)24)11-16(14)9-17/h1-6,9H,7-8,10-12,20H2,(H,21,25)(H,23,24)