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

Systemtic Name: (phenylmethyl) 4-[1-(4-butoxyphenyl)carbonyl-2-methyl-indol-4-yl]butanoate Openeye Name: benzyl 4-[1-(4-butoxybenzoyl)-2-methyl-indol-4-yl]butanoate CAS Name: 4-[1-[(4-butoxyphenyl)-oxomethyl]-2-methyl-4-indolyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(4-butoxybenzoyl)-2-methylindol-4-yl]butanoate Traditional Name: 4-[1-(4-butoxybenzoyl)-2-methyl-indol-4-yl]butyric acid benzyl ester Formula: C31H33NO4 MolecularWeight: 483.59802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO4/c1-3-4-20-35-27-18-16-26(17-19-27)31(34)32-23(2)21-28-25(12-8-14-29(28)32)13-9-15-30(33)36-22-24-10-6-5-7-11-24/h5-8,10-12,14,16-19,21H,3-4,9,13,15,20,22H2,1-2H3