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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC3=CC=CC=C3)C4=CC=CC=C4O

InChI

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