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

Systemtic Name: (E)-2-azanyl-3-methyl-3-[1-(4-methylpentyl)indol-5-yl]-4-oxidanylidene-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-3-(1-isohexylindol-5-yl)-3-methyl-4-oxo-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-3-methyl-3-[1-(4-methylpentyl)-5-indolyl]-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-3-methyl-3-[1-(4-methylpentyl)indol-5-yl]-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-3-(1-isohexylindol-5-yl)-4-keto-3-methyl-2-phenoxy-hept-5-enoic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C(C)(C1=CC2=C(C=C1)N(C=C2)CCCC(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)CCCC(C)C)C(C(=O)O)(N)OC3=CC=CC=C3

InChI

InChI=1S/C28H34N2O4/c1-5-10-25(31)27(4,28(29,26(32)33)34-23-12-7-6-8-13-23)22-14-15-24-21(19-22)16-18-30(24)17-9-11-20(2)3/h5-8,10,12-16,18-20H,9,11,17,29H2,1-4H3,(H,32,33)/b10-5+