2-[(3,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(3,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(3,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(3,4-dichloroanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(3,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[(3,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H14Cl2N2O3 MolecularWeight: 365.21066

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H14Cl2N2O3/c18-13-6-5-12(8-14(13)19)20-17(24)21-9-11-4-2-1-3-10(11)7-15(21)16(22)23/h1-6,8,15H,7,9H2,(H,20,24)(H,22,23)