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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)propyl]-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)propyl]indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)propyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)propyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)propyl]indole-5-carboxylic acid methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3/c1-19(23-10-6-7-11-26(23)30)17-29-18-22(16-28-15-20-8-4-3-5-9-20)24-14-21(27(31)32-2)12-13-25(24)29/h3-14,18-19,28,30H,15-17H2,1-2H3