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

Systemtic Name: (E)-2-azanyl-3-(1-butan-2-ylindol-5-yl)-3-methyl-4-oxidanylidene-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-3-methyl-4-oxo-2-phenoxy-3-(1-sec-butylindol-5-yl)hept-5-enoic acid CAS Name: (E)-2-amino-3-(1-butan-2-yl-5-indolyl)-3-methyl-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-3-(1-butan-2-ylindol-5-yl)-3-methyl-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-4-keto-3-methyl-2-phenoxy-3-(1-sec-butylindol-5-yl)hept-5-enoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=CC2=C1C=CC(=C2)C(C)(C(=O)C=CC)C(C(=O)O)(N)OC3=CC=CC=C3

Isomeric SMILES

CCC(C)N1C=CC2=C1C=CC(=C2)C(C)(C(=O)/C=C/C)C(C(=O)O)(N)OC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O4/c1-5-10-23(29)25(4,26(27,24(30)31)32-21-11-8-7-9-12-21)20-13-14-22-19(17-20)15-16-28(22)18(3)6-2/h5,7-18H,6,27H2,1-4H3,(H,30,31)/b10-5+