methyl 3-[(6-chloranyl-2H-chromen-3-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[(6-chloranyl-2H-chromen-3-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[(6-chloro-2H-chromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[(6-chloro-2H-1-benzopyran-3-yl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-2H-chromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[(6-chloro-2H-chromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C22H22ClNO6 MolecularWeight: 431.86618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)OC

InChI

InChI=1S/C22H22ClNO6/c1-27-19-6-4-13(10-20(19)28-2)17(11-21(25)29-3)24-22(26)15-8-14-9-16(23)5-7-18(14)30-12-15/h4-10,17H,11-12H2,1-3H3,(H,24,26)