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

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-(2-propylpentyl)indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-propylpentyl)indole-5-carboxylate CAS Name: 3-[[(phenylmethyl)amino]methyl]-1-(2-propylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-propylpentyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-propylpentyl)indole-5-carboxylic acid methyl ester Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O2/c1-4-9-21(10-5-2)18-28-19-23(17-27-16-20-11-7-6-8-12-20)24-15-22(26(29)30-3)13-14-25(24)28/h6-8,11-15,19,21,27H,4-5,9-10,16-18H2,1-3H3