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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNC4=CC=CC=C4O

Isomeric SMILES

CCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNC4=CC=CC=C4O

InChI

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