methyl (2S)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(7-methoxy-2-oxo-chromen-4-yl)methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(7-methoxy-2-oxochromen-4-yl)methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-keto-7-methoxy-chromen-4-yl)methylamino]-3-phenyl-propionic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H21NO5/c1-25-16-8-9-17-15(11-20(23)27-19(17)12-16)13-22-18(21(24)26-2)10-14-6-4-3-5-7-14/h3-9,11-12,18,22H,10,13H2,1-2H3/t18-/m0/s1