methyl 3-[[(2-hydroxyphenyl)amino]methyl]-1-[2-(2-hydroxyphenyl)butyl]indole-5-carboxylate

Systemtic Name: methyl 3-[[(2-hydroxyphenyl)amino]methyl]-1-[2-(2-hydroxyphenyl)butyl]indole-5-carboxylate Openeye Name: methyl 3-[(2-hydroxyanilino)methyl]-1-[2-(2-hydroxyphenyl)butyl]indole-5-carboxylate CAS Name: 3-[(2-hydroxyanilino)methyl]-1-[2-(2-hydroxyphenyl)butyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-hydroxyanilino)methyl]-1-[2-(2-hydroxyphenyl)butyl]indole-5-carboxylate Traditional Name: 3-[(2-hydroxyanilino)methyl]-1-[2-(2-hydroxyphenyl)butyl]indole-5-carboxylic acid methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3O)C4=CC=CC=C4O

Isomeric SMILES

CCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3O)C4=CC=CC=C4O

InChI

InChI=1S/C27H28N2O4/c1-3-18(21-8-4-6-10-25(21)30)16-29-17-20(15-28-23-9-5-7-11-26(23)31)22-14-19(27(32)33-2)12-13-24(22)29/h4-14,17-18,28,30-31H,3,15-16H2,1-2H3