(phenylmethyl) 2-[1-(4-butoxyphenyl)carbonyl-2-methyl-indol-4-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-(4-butoxyphenyl)carbonyl-2-methyl-indol-4-yl]ethanoate Openeye Name: benzyl 2-[1-(4-butoxybenzoyl)-2-methyl-indol-4-yl]acetate CAS Name: 2-[1-[(4-butoxyphenyl)-oxomethyl]-2-methyl-4-indolyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(4-butoxybenzoyl)-2-methylindol-4-yl]acetate Traditional Name: 2-[1-(4-butoxybenzoyl)-2-methyl-indol-4-yl]acetic acid benzyl ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO4/c1-3-4-17-33-25-15-13-23(14-16-25)29(32)30-21(2)18-26-24(11-8-12-27(26)30)19-28(31)34-20-22-9-6-5-7-10-22/h5-16,18H,3-4,17,19-20H2,1-2H3