(E)-2-azanyl-6-(1-heptylindol-5-yl)-3-methyl-4-oxidanylidene-2-phenoxy-hept-5-enoic acid

Systemtic Name: (E)-2-azanyl-6-(1-heptylindol-5-yl)-3-methyl-4-oxidanylidene-2-phenoxy-hept-5-enoic acid Openeye Name: (E)-2-amino-6-(1-heptylindol-5-yl)-3-methyl-4-oxo-2-phenoxy-hept-5-enoic acid CAS Name: (E)-2-amino-6-(1-heptyl-5-indolyl)-3-methyl-4-oxo-2-phenoxy-5-heptenoic acid IUPAC Name: (E)-2-amino-6-(1-heptylindol-5-yl)-3-methyl-4-oxo-2-phenoxyhept-5-enoic acid Traditional Name: (E)-2-amino-6-(1-heptylindol-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:

CCCCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)C(C)C(C(=O)O)(N)OC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)C(C)C(C(=O)O)(N)OC3=CC=CC=C3)/C

InChI

InChI=1S/C29H36N2O4/c1-4-5-6-7-11-17-31-18-16-24-20-23(14-15-26(24)31)21(2)19-27(32)22(3)29(30,28(33)34)35-25-12-9-8-10-13-25/h8-10,12-16,18-20,22H,4-7,11,17,30H2,1-3H3,(H,33,34)/b21-19+