(phenylmethyl) 1-(4-butoxyphenyl)carbonyl-2-methyl-indole-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(4-butoxyphenyl)carbonyl-2-methyl-indole-4-carboxylate Openeye Name: benzyl 1-(4-butoxybenzoyl)-2-methyl-indole-4-carboxylate CAS Name: 1-[(4-butoxyphenyl)-oxomethyl]-2-methyl-4-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4-butoxybenzoyl)-2-methylindole-4-carboxylate Traditional Name: 1-(4-butoxybenzoyl)-2-methyl-indole-4-carboxylic acid benzyl ester Formula: C28H27NO4 MolecularWeight: 441.51828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C28H27NO4/c1-3-4-17-32-23-15-13-22(14-16-23)27(30)29-20(2)18-25-24(11-8-12-26(25)29)28(31)33-19-21-9-6-5-7-10-21/h5-16,18H,3-4,17,19H2,1-2H3