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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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