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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2/c1-4-9-19(5-2)17-27-18-22(16-26-15-20-10-7-6-8-11-20)23-14-21(25(28)29-3)12-13-24(23)27/h6-8,10-14,18-19,26H,4-5,9,15-17H2,1-3H3