4-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)methoxycarbamoyl]benzoic acid

Systemtic Name: 4-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)methoxycarbamoyl]benzoic acid Openeye Name: 4-[(2-isopropyl-3,4-dihydro-1H-isoquinolin-3-yl)methoxycarbamoyl]benzoic acid CAS Name: 4-[oxo-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)methoxyamino]methyl]benzoic acid IUPAC Name: 4-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)methoxycarbamoyl]benzoic acid Traditional Name: 4-[(2-isopropyl-3,4-dihydro-1H-isoquinolin-3-yl)methoxycarbamoyl]benzoic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC2=CC=CC=C2CC1CONC(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)N1CC2=CC=CC=C2CC1CONC(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H24N2O4/c1-14(2)23-12-18-6-4-3-5-17(18)11-19(23)13-27-22-20(24)15-7-9-16(10-8-15)21(25)26/h3-10,14,19H,11-13H2,1-2H3,(H,22,24)(H,25,26)