5-[(4-carboxyphenyl)methoxy]-2-(2,2-diphenylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 5-[(4-carboxyphenyl)methoxy]-2-(2,2-diphenylethanoyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 5-[(4-carboxyphenyl)methoxy]-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 5-[(4-carboxyphenyl)methoxy]-6-methoxy-2-(1-oxo-2,2-diphenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 5-[(4-carboxyphenyl)methoxy]-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 5-(4-carboxybenzyl)oxy-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C33H29NO7 MolecularWeight: 551.58586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C33H29NO7/c1-40-28-17-16-25-19-34(31(35)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23)27(33(38)39)18-26(25)30(28)41-20-21-12-14-24(15-13-21)32(36)37/h2-17,27,29H,18-20H2,1H3,(H,36,37)(H,38,39)