methyl 1-[[2-(hydroxymethyl)-5-phenylmethoxy-2,3-dihydroindol-1-yl]methyl]cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 1-[[2-(hydroxymethyl)-5-phenylmethoxy-2,3-dihydroindol-1-yl]methyl]cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 1-[[5-benzyloxy-2-(hydroxymethyl)indolin-1-yl]methyl]cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-[[2-(hydroxymethyl)-5-phenylmethoxy-2,3-dihydroindol-1-yl]methyl]-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(hydroxymethyl)-5-phenylmethoxy-2,3-dihydroindol-1-yl]methyl]cyclohexa-2,4-diene-1-carboxylate Traditional Name: 1-[(5-benzoxy-2-methylol-indolin-1-yl)methyl]cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC=CC=C1)CN2C(CC3=C2C=CC(=C3)OCC4=CC=CC=C4)CO

Isomeric SMILES

COC(=O)C1(CC=CC=C1)CN2C(CC3=C2C=CC(=C3)OCC4=CC=CC=C4)CO

InChI

InChI=1S/C25H27NO4/c1-29-24(28)25(12-6-3-7-13-25)18-26-21(16-27)14-20-15-22(10-11-23(20)26)30-17-19-8-4-2-5-9-19/h2-12,15,21,27H,13-14,16-18H2,1H3