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

Systemtic Name: (E)-2-azanyl-3-methyl-3-[1-(3-methylhexan-2-yl)indol-5-yl]-4-oxidanylidene-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-3-[1-(1,2-dimethylpentyl)indol-5-yl]-3-methyl-4-oxo-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-3-methyl-3-[1-(3-methylhexan-2-yl)-5-indolyl]-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-3-methyl-3-[1-(3-methylhexan-2-yl)indol-5-yl]-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-3-[1-(1,2-dimethylpentyl)indol-5-yl]-4-keto-3-methyl-2-phenoxy-hept-5-enoic acid Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(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)C(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/C29H36N2O4/c1-6-11-20(3)21(4)31-18-17-22-19-23(15-16-25(22)31)28(5,26(32)12-7-2)29(30,27(33)34)35-24-13-9-8-10-14-24/h7-10,12-21H,6,11,30H2,1-5H3,(H,33,34)/b12-7+