1-(4-tert-butylphenyl)ethyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate

Systemtic Name: 1-(4-tert-butylphenyl)ethyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate Openeye Name: 1-(4-tert-butylphenyl)ethyl 2-methyl-5-[2-(1-piperidyl)ethyl]-1H-indole-3-carboxylate CAS Name: 2-methyl-5-[2-(1-piperidinyl)ethyl]-1H-indole-3-carboxylic acid 1-(4-tert-butylphenyl)ethyl ester IUPAC Name: 1-(4-tert-butylphenyl)ethyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate Traditional Name: 2-methyl-5-(2-piperidinoethyl)-1H-indole-3-carboxylic acid 1-(4-tert-butylphenyl)ethyl ester Formula: C29H38N2O2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)CCN3CCCCC3)C(=O)OC(C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)CCN3CCCCC3)C(=O)OC(C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H38N2O2/c1-20-27(28(32)33-21(2)23-10-12-24(13-11-23)29(3,4)5)25-19-22(9-14-26(25)30-20)15-18-31-16-7-6-8-17-31/h9-14,19,21,30H,6-8,15-18H2,1-5H3