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

Systemtic Name: 2-[(3-chloranyl-6-methyl-2-oxidanylidene-3,4-dihydrochromen-4-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-chloro-6-methyl-2-oxo-chroman-4-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-chloro-6-methyl-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-chloro-6-methyl-2-oxo-3,4-dihydrochromen-4-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-chloro-2-keto-6-methyl-chroman-4-yl)amino]-3-phenyl-propionic acid Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C(C2NC(CC3=CC=CC=C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C(C2NC(CC3=CC=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C19H18ClNO4/c1-11-7-8-15-13(9-11)17(16(20)19(24)25-15)21-14(18(22)23)10-12-5-3-2-4-6-12/h2-9,14,16-17,21H,10H2,1H3,(H,22,23)