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

Systemtic Name: (E)-2-azanyl-3-methyl-3-(1-nonan-5-ylindol-5-yl)-4-oxidanylidene-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-3-[1-(1-butylpentyl)indol-5-yl]-3-methyl-4-oxo-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-3-methyl-3-(1-nonan-5-yl-5-indolyl)-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-3-methyl-3-(1-nonan-5-ylindol-5-yl)-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-3-[1-(1-butylpentyl)indol-5-yl]-4-keto-3-methyl-2-phenoxy-hept-5-enoic acid Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O4/c1-5-8-14-25(15-9-6-2)33-21-20-23-22-24(18-19-27(23)33)30(4,28(34)13-7-3)31(32,29(35)36)37-26-16-11-10-12-17-26/h7,10-13,16-22,25H,5-6,8-9,14-15,32H2,1-4H3,(H,35,36)/b13-7+