[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H25ClN2O5 MolecularWeight: 384.8545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCNC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCNC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C18H25ClN2O5/c1-12-7-8-13(10-14(12)19)21-15(22)11-25-16(23)6-5-9-20-17(24)26-18(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,20,24)(H,21,22)