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

Systemtic Name: (E)-2-azanyl-3-(1-heptan-3-ylindol-5-yl)-3-methyl-4-oxidanylidene-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-3-[1-(1-ethylpentyl)indol-5-yl]-3-methyl-4-oxo-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-3-(1-heptan-3-yl-5-indolyl)-3-methyl-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-3-(1-heptan-3-ylindol-5-yl)-3-methyl-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-3-[1-(1-ethylpentyl)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:

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

Isomeric SMILES

CCCCC(CC)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/c1-5-8-13-23(7-3)31-19-18-21-20-22(16-17-25(21)31)28(4,26(32)12-6-2)29(30,27(33)34)35-24-14-10-9-11-15-24/h6,9-12,14-20,23H,5,7-8,13,30H2,1-4H3,(H,33,34)/b12-6+