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

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-[2-(phenylmethyl)pentyl]indole-5-carboxylate Openeye Name: methyl 1-(2-benzylpentyl)-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-[2-(phenylmethyl)pentyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzylpentyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-benzylpentyl)-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC(C)C

Isomeric SMILES

CCCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC(C)C

InChI

InChI=1S/C27H36N2O2/c1-5-9-22(14-21-10-7-6-8-11-21)18-29-19-24(17-28-16-20(2)3)25-15-23(27(30)31-4)12-13-26(25)29/h6-8,10-13,15,19-20,22,28H,5,9,14,16-18H2,1-4H3