methyl N-[(2Z)-3-oxidanylidene-1-phenyl-2-(phenylmethylidene)heptyl]carbamate

Systemtic Name: methyl N-[(2Z)-3-oxidanylidene-1-phenyl-2-(phenylmethylidene)heptyl]carbamate Openeye Name: methyl N-[(2Z)-2-benzylidene-3-oxo-1-phenyl-heptyl]carbamate CAS Name: N-[(2Z)-3-oxo-1-phenyl-2-(phenylmethylene)heptyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2Z)-2-benzylidene-3-oxo-1-phenylheptyl]carbamate Traditional Name: N-[(Z)-1,3-diphenyl-2-valeryl-allyl]carbamic acid methyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(=CC1=CC=CC=C1)C(C2=CC=CC=C2)NC(=O)OC

Isomeric SMILES

CCCCC(=O)/C(=C\C1=CC=CC=C1)/C(C2=CC=CC=C2)NC(=O)OC

InChI

InChI=1S/C22H25NO3/c1-3-4-15-20(24)19(16-17-11-7-5-8-12-17)21(23-22(25)26-2)18-13-9-6-10-14-18/h5-14,16,21H,3-4,15H2,1-2H3,(H,23,25)/b19-16+