7-[[(4E,6E)-1-azanyl-9-methoxy-2,6,8-trimethyl-1-oxidanylidene-10-phenyl-deca-4,6-dien-3-yl]amino]oct-7-enoic acid

Systemtic Name: 7-[[(4E,6E)-1-azanyl-9-methoxy-2,6,8-trimethyl-1-oxidanylidene-10-phenyl-deca-4,6-dien-3-yl]amino]oct-7-enoic acid Openeye Name: 7-[[(2E,4E)-1-(2-amino-1-methyl-2-oxo-ethyl)-7-methoxy-4,6-dimethyl-8-phenyl-octa-2,4-dienyl]amino]oct-7-enoic acid CAS Name: 7-[[(4E,6E)-1-amino-9-methoxy-2,6,8-trimethyl-1-oxo-10-phenyldeca-4,6-dien-3-yl]amino]-7-octenoic acid IUPAC Name: 7-[[(4E,6E)-1-amino-9-methoxy-2,6,8-trimethyl-1-oxo-10-phenyldeca-4,6-dien-3-yl]amino]oct-7-enoic acid Traditional Name: 7-[[(2E,4E)-1-(2-amino-2-keto-1-methyl-ethyl)-7-methoxy-4,6-dimethyl-8-phenyl-octa-2,4-dienyl]amino]oct-7-enoic acid Formula: C28H42N2O4 MolecularWeight: 470.64408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)C=CC(C(C)C(=O)N)NC(=C)CCCCCC(=O)O)C(CC1=CC=CC=C1)OC

Isomeric SMILES

CC(/C=C(\C)/C=C/C(C(C)C(=O)N)NC(=C)CCCCCC(=O)O)C(CC1=CC=CC=C1)OC

InChI

InChI=1S/C28H42N2O4/c1-20(18-21(2)26(34-5)19-24-13-9-7-10-14-24)16-17-25(23(4)28(29)33)30-22(3)12-8-6-11-15-27(31)32/h7,9-10,13-14,16-18,21,23,25-26,30H,3,6,8,11-12,15,19H2,1-2,4-5H3,(H2,29,33)(H,31,32)/b17-16+,20-18+