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

Systemtic Name: 2-[2-[2-[(3-aminophenyl)carbonylamino]ethanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid Openeye Name: 2-[2-[2-[(3-aminobenzoyl)amino]acetyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid CAS Name: 2-[2-[2-[[(3-aminophenyl)-oxomethyl]amino]-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid IUPAC Name: 2-[2-[2-[(3-aminobenzoyl)amino]acetyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Traditional Name: 2-[2-[2-[(3-aminobenzoyl)amino]acetyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CNC(=O)C3=CC(=CC=C3)N)CC(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CNC(=O)C3=CC(=CC=C3)N)CC(=O)O

InChI

InChI=1S/C20H21N3O4/c21-16-7-3-6-14(8-16)20(27)22-11-18(24)23-12-15-5-2-1-4-13(15)9-17(23)10-19(25)26/h1-8,17H,9-12,21H2,(H,22,27)(H,25,26)