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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(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/C27H32N2O4/c1-5-10-19(3)29-17-16-20-18-21(14-15-23(20)29)26(4,24(30)11-6-2)27(28,25(31)32)33-22-12-8-7-9-13-22/h6-9,11-19H,5,10,28H2,1-4H3,(H,31,32)/b11-6+