(E)-2-[3-[[5-(2,3-dihydroindol-1-yl)-5-oxidanylidene-pentanoyl]amino]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-8-(4-methoxyphenyl)-2-methyl-oct-7-enoic acid

Systemtic Name: (E)-2-[3-[[5-(2,3-dihydroindol-1-yl)-5-oxidanylidene-pentanoyl]amino]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]-8-(4-methoxyphenyl)-2-methyl-oct-7-enoic acid Openeye Name: (E)-2-[3-[(5-indolin-1-yl-5-oxo-pentanoyl)amino]-6-oxo-cyclohexa-1,3-dien-1-yl]-8-(4-methoxyphenyl)-2-methyl-oct-7-enoic acid CAS Name: (E)-2-[3-[[5-(2,3-dihydroindol-1-yl)-1,5-dioxopentyl]amino]-6-oxo-1-cyclohexa-1,3-dienyl]-8-(4-methoxyphenyl)-2-methyl-7-octenoic acid IUPAC Name: (E)-2-[3-[[5-(2,3-dihydroindol-1-yl)-5-oxopentanoyl]amino]-6-oxocyclohexa-1,3-dien-1-yl]-8-(4-methoxyphenyl)-2-methyloct-7-enoic acid Traditional Name: (E)-2-[3-[(5-indolin-1-yl-5-keto-pentanoyl)amino]-6-keto-cyclohexa-1,3-dien-1-yl]-8-(4-methoxyphenyl)-2-methyl-oct-7-enoic acid Formula: C35H40N2O6 MolecularWeight: 584.7019

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC=CC1=CC=C(C=C1)OC)(C2=CC(=CCC2=O)NC(=O)CCCC(=O)N3CCC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC(CCCC/C=C/C1=CC=C(C=C1)OC)(C2=CC(=CCC2=O)NC(=O)CCCC(=O)N3CCC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C35H40N2O6/c1-35(34(41)42,22-8-4-3-5-10-25-15-18-28(43-2)19-16-25)29-24-27(17-20-31(29)38)36-32(39)13-9-14-33(40)37-23-21-26-11-6-7-12-30(26)37/h5-7,10-12,15-19,24H,3-4,8-9,13-14,20-23H2,1-2H3,(H,36,39)(H,41,42)/b10-5+