3-[5-[3-(4-butylphenyl)prop-2-ynyl]-4-methoxy-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[5-[3-(4-butylphenyl)prop-2-ynyl]-4-methoxy-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[5-[3-(4-butylphenyl)prop-2-ynyl]-4-methoxy-6-oxo-cyclohexa-1,3-dien-1-yl]-2-isopropoxy-propanoic acid CAS Name: 3-[5-[3-(4-butylphenyl)prop-2-ynyl]-4-methoxy-6-oxo-1-cyclohexa-1,3-dienyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[5-[3-(4-butylphenyl)prop-2-ynyl]-4-methoxy-6-oxocyclohexa-1,3-dien-1-yl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[5-[3-(4-butylphenyl)prop-2-ynyl]-6-keto-4-methoxy-cyclohexa-1,3-dien-1-yl]-2-isopropoxy-propionic acid Formula: C26H32O5 MolecularWeight: 424.52928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CCC2C(=CC=C(C2=O)CC(C(=O)O)OC(C)C)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CCC2C(=CC=C(C2=O)CC(C(=O)O)OC(C)C)OC

InChI

InChI=1S/C26H32O5/c1-5-6-8-19-11-13-20(14-12-19)9-7-10-22-23(30-4)16-15-21(25(22)27)17-24(26(28)29)31-18(2)3/h11-16,18,22,24H,5-6,8,10,17H2,1-4H3,(H,28,29)