tert-butyl N-[(2S)-1-[(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(4-chloro-1-oxo-3-propoxyisochromen-7-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(4-chloro-1-keto-3-propoxy-isochromen-7-yl)carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C22H29ClN2O6 MolecularWeight: 452.92846

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C)C(=O)O1)Cl

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)C(=O)O1)Cl

InChI

InChI=1S/C22H29ClN2O6/c1-7-10-29-20-16(23)14-9-8-13(11-15(14)19(27)30-20)24-18(26)17(12(2)3)25-21(28)31-22(4,5)6/h8-9,11-12,17H,7,10H2,1-6H3,(H,24,26)(H,25,28)/t17-/m0/s1