methyl 1-[4-methyl-2-(2-methylpropyl)pentyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate

Systemtic Name: methyl 1-[4-methyl-2-(2-methylpropyl)pentyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-isobutyl-4-methyl-pentyl)indole-5-carboxylate CAS Name: 1-[4-methyl-2-(2-methylpropyl)pentyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-methyl-2-(2-methylpropyl)pentyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-isobutyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C25H40N2O2 MolecularWeight: 400.5973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O2/c1-17(2)10-20(11-18(3)4)15-27-16-22(14-26-13-19(5)6)23-12-21(25(28)29-7)8-9-24(23)27/h8-9,12,16-20,26H,10-11,13-15H2,1-7H3