3-(2,4-dichlorophenyl)-2-[(2-ethoxyphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(2,4-dichlorophenyl)-2-[(2-ethoxyphenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(2,4-dichlorophenyl)-2-[(2-ethoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(2,4-dichlorophenyl)-2-[(2-ethoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(2,4-dichlorophenyl)-2-[(2-ethoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(2,4-dichlorophenyl)-2-(2-ethoxybenzyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H21Cl2NO4 MolecularWeight: 470.34454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC1=CC=CC=C1CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H21Cl2NO4/c1-2-32-21-10-6-3-7-15(21)14-28-23(19-12-11-16(26)13-20(19)27)22(25(30)31)17-8-4-5-9-18(17)24(28)29/h3-13,22-23H,2,14H2,1H3,(H,30,31)