4-[2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-oxidanyl-phenyl]-2-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-oxidanyl-phenyl]-2-oxidanylidene-butanoic acid Openeye Name: 4-[2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-hydroxy-phenyl]-2-oxo-butanoic acid CAS Name: 4-[2-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-5-hydroxyphenyl]-2-oxobutanoic acid IUPAC Name: 4-[2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-hydroxyphenyl]-2-oxobutanoic acid Traditional Name: 4-[2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-5-hydroxy-phenyl]-2-keto-butyric acid Formula: C30H37NO5 MolecularWeight: 491.61848

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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=C(C=C2)O)CCC(=O)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=C(C=C(C=C2)O)CCC(=O)C(=O)O)/C)/C

InChI

InChI=1S/C30H37NO5/c1-20(11-14-25-22(3)10-7-17-30(25,4)5)8-6-9-21(2)18-28(34)31-26-15-13-24(32)19-23(26)12-16-27(33)29(35)36/h6,8-9,11,13-15,18-19,32H,7,10,12,16-17H2,1-5H3,(H,31,34)(H,35,36)/b9-6+,14-11+,20-8+,21-18+