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

Systemtic Name: 3-[4-methoxy-5-(3-naphthalen-1-ylprop-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-(1-naphthyl)prop-2-ynyl]-6-oxo-cyclohexa-1,3-dien-1-yl]propanoic acid CAS Name: 3-[4-methoxy-5-[3-(1-naphthalenyl)prop-2-ynyl]-6-oxo-1-cyclohexa-1,3-dienyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-methoxy-5-(3-naphthalen-1-ylprop-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-(1-naphthyl)prop-2-ynyl]cyclohexa-1,3-dien-1-yl]propionic acid Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC=C(C(C1=O)CC#CC2=CC=CC3=CC=CC=C32)OC)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC=C(C(C1=O)CC#CC2=CC=CC3=CC=CC=C32)OC)C(=O)O

InChI

InChI=1S/C26H26O5/c1-17(2)31-24(26(28)29)16-20-14-15-23(30-3)22(25(20)27)13-7-11-19-10-6-9-18-8-4-5-12-21(18)19/h4-6,8-10,12,14-15,17,22,24H,13,16H2,1-3H3,(H,28,29)