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

Systemtic Name: (E)-2-azanyl-3-[1-(2,2-dimethylpropyl)indol-5-yl]-3-methyl-4-oxidanylidene-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-3-[1-(2,2-dimethylpropyl)indol-5-yl]-3-methyl-4-oxo-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-3-[1-(2,2-dimethylpropyl)-5-indolyl]-3-methyl-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-3-[1-(2,2-dimethylpropyl)indol-5-yl]-3-methyl-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-4-keto-3-methyl-3-(1-neopentylindol-5-yl)-2-phenoxy-hept-5-enoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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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(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(C(=O)O)(N)OC3=CC=CC=C3

InChI

InChI=1S/C27H32N2O4/c1-6-10-23(30)26(5,27(28,24(31)32)33-21-11-8-7-9-12-21)20-13-14-22-19(17-20)15-16-29(22)18-25(2,3)4/h6-17H,18,28H2,1-5H3,(H,31,32)/b10-6+