methyl 1-[2-(2-hydroxyphenyl)-4-methyl-pentyl]-3-(phenylazanylmethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-4-methyl-pentyl]-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-4-methyl-pentyl]indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-4-methylpentyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-4-methylpentyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)-4-methyl-pentyl]indole-5-carboxylic acid methyl ester Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O3/c1-20(2)15-22(25-11-7-8-12-28(25)32)18-31-19-23(17-30-24-9-5-4-6-10-24)26-16-21(29(33)34-3)13-14-27(26)31/h4-14,16,19-20,22,30,32H,15,17-18H2,1-3H3