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

Systemtic Name: (E)-2-azanyl-3-methyl-4-oxidanylidene-2-phenoxy-6-(1-propylindol-5-yl)hept-5-enoic acid Openeye Name: (E)-2-amino-3-methyl-4-oxo-2-phenoxy-6-(1-propylindol-5-yl)hept-5-enoic acid CAS Name: (E)-2-amino-3-methyl-4-oxo-2-phenoxy-6-(1-propyl-5-indolyl)-5-heptenoic acid IUPAC Name: (E)-2-amino-3-methyl-4-oxo-2-phenoxy-6-(1-propylindol-5-yl)hept-5-enoic acid Traditional Name: (E)-2-amino-4-keto-3-methyl-2-phenoxy-6-(1-propylindol-5-yl)hept-5-enoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)C(C)C(C(=O)O)(N)OC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)C(C)C(C(=O)O)(N)OC3=CC=CC=C3)/C

InChI

InChI=1S/C25H28N2O4/c1-4-13-27-14-12-20-16-19(10-11-22(20)27)17(2)15-23(28)18(3)25(26,24(29)30)31-21-8-6-5-7-9-21/h5-12,14-16,18H,4,13,26H2,1-3H3,(H,29,30)/b17-15+