prop-2-enyl (E)-3-[1-(4-butoxyphenyl)carbonyl-2-methyl-indol-4-yl]prop-2-enoate

Systemtic Name: prop-2-enyl (E)-3-[1-(4-butoxyphenyl)carbonyl-2-methyl-indol-4-yl]prop-2-enoate Openeye Name: allyl (E)-3-[1-(4-butoxybenzoyl)-2-methyl-indol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-[(4-butoxyphenyl)-oxomethyl]-2-methyl-4-indolyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-[1-(4-butoxybenzoyl)-2-methylindol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(4-butoxybenzoyl)-2-methyl-indol-4-yl]acrylic acid allyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)C=CC(=O)OCC=C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)/C=C/C(=O)OCC=C)C

InChI

InChI=1S/C26H27NO4/c1-4-6-17-30-22-13-10-21(11-14-22)26(29)27-19(3)18-23-20(8-7-9-24(23)27)12-15-25(28)31-16-5-2/h5,7-15,18H,2,4,6,16-17H2,1,3H3/b15-12+