propan-2-yl (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-(4-isocyanatophenyl)propanoate

Systemtic Name: propan-2-yl (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-(4-isocyanatophenyl)propanoate Openeye Name: isopropyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-isocyanatophenyl)propanoate CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-(4-isocyanatophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-isocyanatophenyl)propanoate Traditional Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-isocyanatophenyl)propionic acid isopropyl ester Formula: C20H18Cl2N2O4 MolecularWeight: 421.27392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=C(C=C1)N=C=O)NC(=O)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC(C)OC(=O)[C@H](CC1=CC=C(C=C1)N=C=O)NC(=O)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O4/c1-12(2)28-20(27)17(10-13-6-8-14(9-7-13)23-11-25)24-19(26)18-15(21)4-3-5-16(18)22/h3-9,12,17H,10H2,1-2H3,(H,24,26)/t17-/m0/s1