(phenylmethyl) (3R)-3-[(4-chlorophenyl)carbamoylamino]-4-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3R)-3-[(4-chlorophenyl)carbamoylamino]-4-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3R)-3-[(4-chlorophenyl)carbamoylamino]-4-[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]-4-oxo-butanoate CAS Name: (3R)-3-[[(4-chloroanilino)-oxomethyl]amino]-4-[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-[(4-chlorophenyl)carbamoylamino]-4-[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]-4-oxobutanoate Traditional Name: (3R)-3-[(4-chlorophenyl)carbamoylamino]-4-keto-4-[4-(1-methyl-2-imidazolin-2-yl)anilino]butyric acid benzyl ester Formula: C28H28ClN5O4 MolecularWeight: 534.00602

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC=C(C=C2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN=C1C2=CC=C(C=C2)NC(=O)[C@@H](CC(=O)OCC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H28ClN5O4/c1-34-16-15-30-26(34)20-7-11-22(12-8-20)31-27(36)24(17-25(35)38-18-19-5-3-2-4-6-19)33-28(37)32-23-13-9-21(29)10-14-23/h2-14,24H,15-18H2,1H3,(H,31,36)(H2,32,33,37)/t24-/m1/s1