methyl 1-(2-methylpentyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-(2-methylpentyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-methylpentyl)indole-5-carboxylate CAS Name: 1-(2-methylpentyl)-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methylpentyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-methylpentyl)indole-5-carboxylic acid methyl ester Formula: C21H32N2O2 MolecularWeight: 344.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C

Isomeric SMILES

CCCC(C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNCC(C)C

InChI

InChI=1S/C21H32N2O2/c1-6-7-16(4)13-23-14-18(12-22-11-15(2)3)19-10-17(21(24)25-5)8-9-20(19)23/h8-10,14-16,22H,6-7,11-13H2,1-5H3