5-[[2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]carbonylamino]-6-(4-naphthalen-2-ylbutanoylamino)oxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 5-[[2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]carbonylamino]-6-(4-naphthalen-2-ylbutanoylamino)oxy-6-oxidanylidene-hexanoic acid Openeye Name: 5-[[2-[(E)-3-methoxy-3-oxo-prop-1-enyl]benzoyl]amino]-6-[4-(2-naphthyl)butanoylamino]oxy-6-oxo-hexanoic acid CAS Name: 5-[[[2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]-oxomethyl]amino]-6-[[4-(2-naphthalenyl)-1-oxobutyl]amino]oxy-6-oxohexanoic acid IUPAC Name: 5-[[2-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoyl]amino]-6-(4-naphthalen-2-ylbutanoylamino)oxy-6-oxohexanoic acid Traditional Name: 6-keto-5-[[2-[(E)-3-keto-3-methoxy-prop-1-enyl]benzoyl]amino]-6-[4-(2-naphthyl)butanoylamino]oxy-hexanoic acid Formula: C31H32N2O8 MolecularWeight: 560.59438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=CC=C1C(=O)NC(CCCC(=O)O)C(=O)ONC(=O)CCCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)/C=C/C1=CC=CC=C1C(=O)NC(CCCC(=O)O)C(=O)ONC(=O)CCCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C31H32N2O8/c1-40-29(37)19-18-23-10-4-5-12-25(23)30(38)32-26(13-7-15-28(35)36)31(39)41-33-27(34)14-6-8-21-16-17-22-9-2-3-11-24(22)20-21/h2-5,9-12,16-20,26H,6-8,13-15H2,1H3,(H,32,38)(H,33,34)(H,35,36)/b19-18+