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

Systemtic Name: (3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (3-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-chloro-4-methyl-2-oxochromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (3-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C27H22ClNO6 MolecularWeight: 491.91968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)Cl

InChI

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