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

Systemtic Name: methyl 1-(2-methyl-3-phenyl-propyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-methyl-3-phenyl-propyl)indole-5-carboxylate CAS Name: 1-(2-methyl-3-phenylpropyl)-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-methyl-3-phenylpropyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-methyl-3-phenyl-propyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O2/c1-21(15-22-9-5-3-6-10-22)19-30-20-25(18-29-17-23-11-7-4-8-12-23)26-16-24(28(31)32-2)13-14-27(26)30/h3-14,16,20-21,29H,15,17-19H2,1-2H3