1-(2,6-dimethylphenyl)ethyl 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylate

Systemtic Name: 1-(2,6-dimethylphenyl)ethyl 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylate Openeye Name: 1-(2,6-dimethylphenyl)ethyl 2-methyl-5-[2-(2-piperidyl)ethyl]-1H-indole-3-carboxylate CAS Name: 2-methyl-5-[2-(2-piperidinyl)ethyl]-1H-indole-3-carboxylic acid 1-(2,6-dimethylphenyl)ethyl ester IUPAC Name: 1-(2,6-dimethylphenyl)ethyl 2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylate Traditional Name: 2-methyl-5-[2-(2-piperidyl)ethyl]-1H-indole-3-carboxylic acid 1-(2,6-dimethylphenyl)ethyl ester Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(C)OC(=O)C2=C(NC3=C2C=C(C=C3)CCC4CCCCN4)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(C)OC(=O)C2=C(NC3=C2C=C(C=C3)CCC4CCCCN4)C

InChI

InChI=1S/C27H34N2O2/c1-17-8-7-9-18(2)25(17)20(4)31-27(30)26-19(3)29-24-14-12-21(16-23(24)26)11-13-22-10-5-6-15-28-22/h7-9,12,14,16,20,22,28-29H,5-6,10-11,13,15H2,1-4H3