(E)-3-azanyl-6-(cyclohexylmethyl)-2-methyl-5-oxidanylidene-7,7,7-triphenyl-hept-2-enoic acid

Systemtic Name: (E)-3-azanyl-6-(cyclohexylmethyl)-2-methyl-5-oxidanylidene-7,7,7-triphenyl-hept-2-enoic acid Openeye Name: (E)-3-amino-6-(cyclohexylmethyl)-2-methyl-5-oxo-7,7,7-triphenyl-hept-2-enoic acid CAS Name: (E)-3-amino-6-(cyclohexylmethyl)-2-methyl-5-oxo-7,7,7-triphenyl-2-heptenoic acid IUPAC Name: (E)-3-amino-6-(cyclohexylmethyl)-2-methyl-5-oxo-7,7,7-triphenylhept-2-enoic acid Traditional Name: (E)-3-amino-6-(cyclohexylmethyl)-5-keto-2-methyl-7,7,7-triphenyl-hept-2-enoic acid Formula: C33H37NO3 MolecularWeight: 495.65178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CC(=O)C(CC1CCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)C(=O)O

Isomeric SMILES

C/C(=C(/CC(=O)C(CC1CCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\N)/C(=O)O

InChI

InChI=1S/C33H37NO3/c1-24(32(36)37)30(34)23-31(35)29(22-25-14-6-2-7-15-25)33(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h3-5,8-13,16-21,25,29H,2,6-7,14-15,22-23,34H2,1H3,(H,36,37)/b30-24+