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

Systemtic Name: methyl 1-(2,4-dimethylpentyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2,4-dimethylpentyl)indole-5-carboxylate CAS Name: 1-(2,4-dimethylpentyl)-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2,4-dimethylpentyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2,4-dimethylpentyl)indole-5-carboxylic acid methyl ester Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2/c1-18(2)12-19(3)16-27-17-22(15-26-14-20-8-6-5-7-9-20)23-13-21(25(28)29-4)10-11-24(23)27/h5-11,13,17-19,26H,12,14-16H2,1-4H3