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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)pentyl]-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)pentyl]indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)pentyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)pentyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-[2-(2-hydroxyphenyl)pentyl]indole-5-carboxylic acid methyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3/c1-3-9-21(24-12-7-8-13-27(24)31)18-30-19-22(17-29-23-10-5-4-6-11-23)25-16-20(28(32)33-2)14-15-26(25)30/h4-8,10-16,19,21,29,31H,3,9,17-18H2,1-2H3