2-[6,7-diethoxy-2-[(2-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[6,7-diethoxy-2-[(2-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[6,7-diethoxy-2-[(2-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[6,7-diethoxy-2-[(2-ethylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[6,7-diethoxy-2-[(2-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[6,7-diethoxy-2-[(2-ethylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)O)OCC)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N2CCC3=CC(=C(C=C3C2CC(=O)O)OCC)OCC

InChI

InChI=1S/C24H30N2O5/c1-4-16-9-7-8-10-19(16)25-24(29)26-12-11-17-13-21(30-5-2)22(31-6-3)14-18(17)20(26)15-23(27)28/h7-10,13-14,20H,4-6,11-12,15H2,1-3H3,(H,25,29)(H,27,28)