(E)-2-azanyl-3-methyl-3-[1-(2-methylpentyl)indol-5-yl]-4-oxidanylidene-2-phenoxy-hept-5-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CN1C=CC2=C1C=CC(=C2)C(C)(C(=O)C=CC)C(C(=O)O)(N)OC3=CC=CC=C3

Isomeric SMILES

CCCC(C)CN1C=CC2=C1C=CC(=C2)C(C)(C(=O)/C=C/C)C(C(=O)O)(N)OC3=CC=CC=C3

InChI

InChI=1S/C28H34N2O4/c1-5-10-20(3)19-30-17-16-21-18-22(14-15-24(21)30)27(4,25(31)11-6-2)28(29,26(32)33)34-23-12-8-7-9-13-23/h6-9,11-18,20H,5,10,19,29H2,1-4H3,(H,32,33)/b11-6+