methyl 1-[2-(2-hydroxyphenyl)propyl]-3-(phenylazanylmethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)propyl]-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)propyl]indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)propyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)propyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)propyl]indole-5-carboxylic acid methyl ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C26H26N2O3/c1-18(22-10-6-7-11-25(22)29)16-28-17-20(15-27-21-8-4-3-5-9-21)23-14-19(26(30)31-2)12-13-24(23)28/h3-14,17-18,27,29H,15-16H2,1-2H3