(2R)-2-(4-chlorophenyl)-2-[(1S)-2-methoxycarbonyl-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: (2R)-2-(4-chlorophenyl)-2-[(1S)-2-methoxycarbonyl-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: (2R)-2-(4-chlorophenyl)-2-[(1S)-2-methoxycarbonyl-1H-isoquinolin-1-yl]acetic acid CAS Name: (2R)-2-(4-chlorophenyl)-2-[(1S)-2-methoxycarbonyl-1H-isoquinolin-1-yl]acetic acid IUPAC Name: (2R)-2-(4-chlorophenyl)-2-[(1S)-2-methoxycarbonyl-1H-isoquinolin-1-yl]acetic acid Traditional Name: (2R)-2-[(1S)-2-carbomethoxy-1H-isoquinolin-1-yl]-2-(4-chlorophenyl)acetic acid Formula: C19H16ClNO4 MolecularWeight: 357.78764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2=CC=CC=C2C1C(C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC(=O)N1C=CC2=CC=CC=C2[C@@H]1[C@@H](C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H16ClNO4/c1-25-19(24)21-11-10-12-4-2-3-5-15(12)17(21)16(18(22)23)13-6-8-14(20)9-7-13/h2-11,16-17H,1H3,(H,22,23)/t16-,17-/m1/s1