(E)-2-azanyl-6-(1-hexylindol-5-yl)-3-methyl-4-oxidanylidene-2-phenoxy-hept-5-enoic acid

Systemtic Name: (E)-2-azanyl-6-(1-hexylindol-5-yl)-3-methyl-4-oxidanylidene-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-6-(1-hexylindol-5-yl)-3-methyl-4-oxo-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-6-(1-hexyl-5-indolyl)-3-methyl-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-6-(1-hexylindol-5-yl)-3-methyl-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-6-(1-hexylindol-5-yl)-4-keto-3-methyl-2-phenoxy-hept-5-enoic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)C(C)C(C(=O)O)(N)OC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)C(C)C(C(=O)O)(N)OC3=CC=CC=C3)/C

InChI

InChI=1S/C28H34N2O4/c1-4-5-6-10-16-30-17-15-23-19-22(13-14-25(23)30)20(2)18-26(31)21(3)28(29,27(32)33)34-24-11-8-7-9-12-24/h7-9,11-15,17-19,21H,4-6,10,16,29H2,1-3H3,(H,32,33)/b20-18+