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

Systemtic Name: 3-[4-methoxy-5-[3-(3-methylphenyl)prop-2-ynyl]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[4-methoxy-5-[3-(m-tolyl)prop-2-ynyl]-6-oxo-cyclohexa-1,3-dien-1-yl]propanoic acid CAS Name: 3-[4-methoxy-5-[3-(3-methylphenyl)prop-2-ynyl]-6-oxo-1-cyclohexa-1,3-dienyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-methoxy-5-[3-(3-methylphenyl)prop-2-ynyl]-6-oxocyclohexa-1,3-dien-1-yl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[6-keto-4-methoxy-5-[3-(m-tolyl)prop-2-ynyl]cyclohexa-1,3-dien-1-yl]propionic acid Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CCC2C(=CC=C(C2=O)CC(C(=O)O)OC(C)C)OC

Isomeric SMILES

CC1=CC=CC(=C1)C#CCC2C(=CC=C(C2=O)CC(C(=O)O)OC(C)C)OC

InChI

InChI=1S/C23H26O5/c1-15(2)28-21(23(25)26)14-18-11-12-20(27-4)19(22(18)24)10-6-9-17-8-5-7-16(3)13-17/h5,7-8,11-13,15,19,21H,10,14H2,1-4H3,(H,25,26)