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

Systemtic Name: methyl 1-(2-methylpropyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-isobutyl-indole-5-carboxylate CAS Name: 1-(2-methylpropyl)-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-methylpropyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-isobutyl-indole-5-carboxylic acid methyl ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2/c1-16(2)14-24-15-19(13-23-12-17-7-5-4-6-8-17)20-11-18(22(25)26-3)9-10-21(20)24/h4-11,15-16,23H,12-14H2,1-3H3