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

Systemtic Name: (E)-2-azanyl-3-methyl-3-[1-(2-methylpropyl)indol-5-yl]-4-oxidanylidene-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-3-(1-isobutylindol-5-yl)-3-methyl-4-oxo-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-3-methyl-3-[1-(2-methylpropyl)-5-indolyl]-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-3-methyl-3-[1-(2-methylpropyl)indol-5-yl]-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-3-(1-isobutylindol-5-yl)-4-keto-3-methyl-2-phenoxy-hept-5-enoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C(C)(C1=CC2=C(C=C1)N(C=C2)CC(C)C)C(C(=O)O)(N)OC3=CC=CC=C3

Isomeric SMILES

C/C=C/C(=O)C(C)(C1=CC2=C(C=C1)N(C=C2)CC(C)C)C(C(=O)O)(N)OC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O4/c1-5-9-23(29)25(4,26(27,24(30)31)32-21-10-7-6-8-11-21)20-12-13-22-19(16-20)14-15-28(22)17-18(2)3/h5-16,18H,17,27H2,1-4H3,(H,30,31)/b9-5+