ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-5-phenylmethoxy-indole-2-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-5-phenylmethoxy-indole-2-carboxylate Openeye Name: ethyl 5-benzyloxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(p-tolyl)indole-2-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-5-phenylmethoxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-5-phenylmethoxyindole-2-carboxylate Traditional Name: 5-benzoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(p-tolyl)indole-2-carboxylic acid ethyl ester Formula: C33H28ClNO5 MolecularWeight: 554.03212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)OCC5=CC=CC=C5)C6=CC=C(C=C6)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)OCC5=CC=CC=C5)C6=CC=C(C=C6)C

InChI

InChI=1S/C33H28ClNO5/c1-3-37-33(36)32-31(23-11-9-21(2)10-12-23)26-16-25(38-19-22-7-5-4-6-8-22)13-14-28(26)35(32)18-24-15-29-30(17-27(24)34)40-20-39-29/h4-17H,3,18-20H2,1-2H3