(E)-2-(3-benzamido-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)-8-(4-methoxyphenyl)-2-methyl-oct-7-enoic acid

Systemtic Name: (E)-2-(3-benzamido-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)-8-(4-methoxyphenyl)-2-methyl-oct-7-enoic acid Openeye Name: (E)-2-(3-benzamido-6-oxo-cyclohexa-1,3-dien-1-yl)-8-(4-methoxyphenyl)-2-methyl-oct-7-enoic acid CAS Name: (E)-2-(3-benzamido-6-oxo-1-cyclohexa-1,3-dienyl)-8-(4-methoxyphenyl)-2-methyl-7-octenoic acid IUPAC Name: (E)-2-(3-benzamido-6-oxocyclohexa-1,3-dien-1-yl)-8-(4-methoxyphenyl)-2-methyloct-7-enoic acid Traditional Name: (E)-2-(3-benzamido-6-keto-cyclohexa-1,3-dien-1-yl)-8-(4-methoxyphenyl)-2-methyl-oct-7-enoic acid Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC=CC1=CC=C(C=C1)OC)(C2=CC(=CCC2=O)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CCCC/C=C/C1=CC=C(C=C1)OC)(C2=CC(=CCC2=O)NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H31NO5/c1-29(28(33)34,19-9-4-3-6-10-21-13-16-24(35-2)17-14-21)25-20-23(15-18-26(25)31)30-27(32)22-11-7-5-8-12-22/h5-8,10-17,20H,3-4,9,18-19H2,1-2H3,(H,30,32)(H,33,34)/b10-6+