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

Systemtic Name: (E)-2-azanyl-3-(1-heptan-4-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-(1-propylbutyl)indol-5-yl]hept-5-enoic acid CAS Name: (E)-2-amino-3-(1-heptan-4-yl-5-indolyl)-3-methyl-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-3-(1-heptan-4-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-(1-propylbutyl)indol-5-yl]hept-5-enoic acid Formula: C29H36N2O4 MolecularWeight: 476.60714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O4/c1-5-11-23(12-6-2)31-19-18-21-20-22(16-17-25(21)31)28(4,26(32)13-7-3)29(30,27(33)34)35-24-14-9-8-10-15-24/h7-10,13-20,23H,5-6,11-12,30H2,1-4H3,(H,33,34)/b13-7+