methyl 1-[4-methyl-2-(phenylmethyl)pentyl]-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[4-methyl-2-(phenylmethyl)pentyl]-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-benzyl-4-methyl-pentyl)indole-5-carboxylate CAS Name: 1-[4-methyl-2-(phenylmethyl)pentyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-benzyl-4-methylpentyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-benzyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C31H36N2O2 MolecularWeight: 468.62974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N2O2/c1-23(2)16-26(17-24-10-6-4-7-11-24)21-33-22-28(20-32-19-25-12-8-5-9-13-25)29-18-27(31(34)35-3)14-15-30(29)33/h4-15,18,22-23,26,32H,16-17,19-21H2,1-3H3