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

Systemtic Name: methyl 1-[2-(2-hydroxyphenyl)-3-phenyl-propyl]-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)-3-phenyl-propyl]indole-5-carboxylate CAS Name: 1-[2-(2-hydroxyphenyl)-3-phenylpropyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)-3-phenylpropyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-[2-(2-hydroxyphenyl)-3-phenyl-propyl]indole-5-carboxylic acid methyl ester Formula: C33H32N2O3 MolecularWeight: 504.61878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CNCC3=CC=CC=C3)CC(CC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CNCC3=CC=CC=C3)CC(CC4=CC=CC=C4)C5=CC=CC=C5O

InChI

InChI=1S/C33H32N2O3/c1-38-33(37)26-16-17-31-30(19-26)28(21-34-20-25-12-6-3-7-13-25)23-35(31)22-27(18-24-10-4-2-5-11-24)29-14-8-9-15-32(29)36/h2-17,19,23,27,34,36H,18,20-22H2,1H3