(E)-2-[4-[4-[3-(cyclohexylcarbamoylamino)-3-oxidanylidene-propyl]phenoxy]phenyl]-3-(3,5-dimethoxyphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-[4-[4-[3-(cyclohexylcarbamoylamino)-3-oxidanylidene-propyl]phenoxy]phenyl]-3-(3,5-dimethoxyphenyl)prop-2-enoic acid Openeye Name: (E)-2-[4-[4-[3-(cyclohexylcarbamoylamino)-3-oxo-propyl]phenoxy]phenyl]-3-(3,5-dimethoxyphenyl)prop-2-enoic acid CAS Name: (E)-2-[4-[4-[3-[[(cyclohexylamino)-oxomethyl]amino]-3-oxopropyl]phenoxy]phenyl]-3-(3,5-dimethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-[4-[4-[3-(cyclohexylcarbamoylamino)-3-oxopropyl]phenoxy]phenyl]-3-(3,5-dimethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-[4-[4-[3-(cyclohexylcarbamoylamino)-3-keto-propyl]phenoxy]phenyl]-3-(3,5-dimethoxyphenyl)acrylic acid Formula: C33H36N2O7 MolecularWeight: 572.64814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=C(C2=CC=C(C=C2)OC3=CC=C(C=C3)CCC(=O)NC(=O)NC4CCCCC4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C(\C2=CC=C(C=C2)OC3=CC=C(C=C3)CCC(=O)NC(=O)NC4CCCCC4)/C(=O)O)OC

InChI

InChI=1S/C33H36N2O7/c1-40-28-18-23(19-29(21-28)41-2)20-30(32(37)38)24-11-15-27(16-12-24)42-26-13-8-22(9-14-26)10-17-31(36)35-33(39)34-25-6-4-3-5-7-25/h8-9,11-16,18-21,25H,3-7,10,17H2,1-2H3,(H,37,38)(H2,34,35,36,39)/b30-20+