methyl 4-[(Z,1R,4R)-4-methyl-5-(naphthalen-2-ylamino)-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-2-enyl]benzoate

Systemtic Name: methyl 4-[(Z,1R,4R)-4-methyl-5-(naphthalen-2-ylamino)-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-2-enyl]benzoate Openeye Name: methyl 4-[(Z,1R,4R)-1-(benzyloxycarbonylamino)-4-methyl-5-(2-naphthylamino)-5-oxo-2-(trifluoromethyl)pent-2-enyl]benzoate CAS Name: 4-[(Z,1R,4R)-4-methyl-5-(2-naphthalenylamino)-5-oxo-1-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z,1R,4R)-4-methyl-5-(naphthalen-2-ylamino)-5-oxo-1-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-2-enyl]benzoate Traditional Name: 4-[(Z,1R,4R)-1-(benzyloxycarbonylamino)-5-keto-4-methyl-5-(2-naphthylamino)-2-(trifluoromethyl)pent-2-enyl]benzoic acid methyl ester Formula: C33H29F3N2O5 MolecularWeight: 590.58897

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(F)(F)F)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H](/C=C(/[C@@H](C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)\C(F)(F)F)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C33H29F3N2O5/c1-21(30(39)37-27-17-16-23-10-6-7-11-26(23)19-27)18-28(33(34,35)36)29(24-12-14-25(15-13-24)31(40)42-2)38-32(41)43-20-22-8-4-3-5-9-22/h3-19,21,29H,20H2,1-2H3,(H,37,39)(H,38,41)/b28-18-/t21-,29-/m1/s1