[3-chloranyl-2-oxidanylidene-4-(phenoxymethyl)chromen-7-yl] 2-acetamido-3-phenyl-propanoate

Systemtic Name: [3-chloranyl-2-oxidanylidene-4-(phenoxymethyl)chromen-7-yl] 2-acetamido-3-phenyl-propanoate Openeye Name: [3-chloro-2-oxo-4-(phenoxymethyl)chromen-7-yl] 2-acetamido-3-phenyl-propanoate CAS Name: 2-acetamido-3-phenylpropanoic acid [3-chloro-2-oxo-4-(phenoxymethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-chloro-2-oxo-4-(phenoxymethyl)chromen-7-yl] 2-acetamido-3-phenylpropanoate Traditional Name: 2-acetamido-3-phenyl-propionic acid [3-chloro-2-keto-4-(phenoxymethyl)chromen-7-yl] ester Formula: C27H22ClNO6 MolecularWeight: 491.91968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)Cl)COC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)Cl)COC4=CC=CC=C4

InChI

InChI=1S/C27H22ClNO6/c1-17(30)29-23(14-18-8-4-2-5-9-18)26(31)34-20-12-13-21-22(16-33-19-10-6-3-7-11-19)25(28)27(32)35-24(21)15-20/h2-13,15,23H,14,16H2,1H3,(H,29,30)