ethyl 2-[(3-chloranyl-6-methyl-2-oxidanylidene-3,4-dihydrochromen-4-yl)amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(3-chloranyl-6-methyl-2-oxidanylidene-3,4-dihydrochromen-4-yl)amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(3-chloro-6-methyl-2-oxo-chroman-4-yl)amino]-3-phenyl-propanoate CAS Name: 2-[(3-chloro-6-methyl-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-6-methyl-2-oxo-3,4-dihydrochromen-4-yl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-chloro-2-keto-6-methyl-chroman-4-yl)amino]-3-phenyl-propionic acid ethyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2C(C(=O)OC3=C2C=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC2C(C(=O)OC3=C2C=C(C=C3)C)Cl

InChI

InChI=1S/C21H22ClNO4/c1-3-26-20(24)16(12-14-7-5-4-6-8-14)23-19-15-11-13(2)9-10-17(15)27-21(25)18(19)22/h4-11,16,18-19,23H,3,12H2,1-2H3