methyl 4-[[(1R)-2-methylidene-1-phenyl-hexyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(1R)-2-methylidene-1-phenyl-hexyl]carbamoyl]benzoate Openeye Name: methyl 4-[[(1R)-2-methylene-1-phenyl-hexyl]carbamoyl]benzoate CAS Name: 4-[[[(1R)-2-methylene-1-phenylhexyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1R)-2-methylidene-1-phenylhexyl]carbamoyl]benzoate Traditional Name: 4-[[(1R)-2-butyl-1-phenyl-allyl]carbamoyl]benzoic acid methyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(=C)[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H25NO3/c1-4-5-9-16(2)20(17-10-7-6-8-11-17)23-21(24)18-12-14-19(15-13-18)22(25)26-3/h6-8,10-15,20H,2,4-5,9H2,1,3H3,(H,23,24)/t20-/m1/s1