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

Systemtic Name: 2-[1-[[4-(aminomethyl)phenyl]carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[1-[[[4-(aminomethyl)phenyl]-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-[[4-(aminomethyl)benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[1-[[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(C(C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CN)CC(=O)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CN)CC(=O)O

InChI

InChI=1S/C19H21N3O3/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,9-12,20H2,(H,21,25)(H,23,24)