(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-benzamido-3-phenyl-propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-benzamido-3-phenyl-propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H22ClNO5 MolecularWeight: 475.92028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H22ClNO5/c1-17-12-24-21(15-22(17)28)20(14-25(30)34-24)16-33-27(32)23(13-18-8-4-2-5-9-18)29-26(31)19-10-6-3-7-11-19/h2-12,14-15,23H,13,16H2,1H3,(H,29,31)