ethyl 3-(2-dodecoxyphenyl)carbonyl-1-methyl-indole-2-carboxylate

Systemtic Name: ethyl 3-(2-dodecoxyphenyl)carbonyl-1-methyl-indole-2-carboxylate Openeye Name: ethyl 3-(2-dodecoxybenzoyl)-1-methyl-indole-2-carboxylate CAS Name: 3-[(2-dodecoxyphenyl)-oxomethyl]-1-methyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-dodecoxybenzoyl)-1-methylindole-2-carboxylate Traditional Name: 3-(2-lauryloxybenzoyl)-1-methyl-indole-2-carboxylic acid ethyl ester Formula: C31H41NO4 MolecularWeight: 491.66154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC=C1C(=O)C2=C(N(C3=CC=CC=C32)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC=C1C(=O)C2=C(N(C3=CC=CC=C32)C)C(=O)OCC

InChI

InChI=1S/C31H41NO4/c1-4-6-7-8-9-10-11-12-13-18-23-36-27-22-17-15-20-25(27)30(33)28-24-19-14-16-21-26(24)32(3)29(28)31(34)35-5-2/h14-17,19-22H,4-13,18,23H2,1-3H3