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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=CC=C3CC(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)NC(=O)NC3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C19H21N3O3/c1-22-9-8-13-6-7-16(10-15(13)12-22)20-19(25)21-17-5-3-2-4-14(17)11-18(23)24/h2-7,10H,8-9,11-12H2,1H3,(H,23,24)(H2,20,21,25)