methyl 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-oxidanyl-benzoate

Systemtic Name: methyl 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-oxidanyl-benzoate Openeye Name: methyl 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-hydroxy-benzoate CAS Name: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-3-hydroxybenzoic acid methyl ester IUPAC Name: methyl 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-hydroxybenzoate Traditional Name: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-hydroxy-benzoic acid methyl ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=C(C=CC=C2O)C(=O)OC)C)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=C(C=CC=C2O)C(=O)OC)/C)/C

InChI

InChI=1S/C28H35NO4/c1-19(15-16-23-21(3)12-9-17-28(23,4)5)10-7-11-20(2)18-25(31)29-26-22(27(32)33-6)13-8-14-24(26)30/h7-8,10-11,13-16,18,30H,9,12,17H2,1-6H3,(H,29,31)/b11-7+,16-15+,19-10+,20-18+