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

Systemtic Name: (4-methyl-2-oxidanylidene-3-propyl-chromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-methyl-2-oxo-3-propyl-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (4-methyl-2-oxo-3-propyl-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxo-3-propylchromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (2-keto-4-methyl-3-propyl-chromen-7-yl) ester Formula: C30H29NO6 MolecularWeight: 499.55436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC1=O)C

InChI

InChI=1S/C30H29NO6/c1-3-10-25-20(2)24-16-15-23(18-27(24)37-28(25)32)36-29(33)26(17-21-11-6-4-7-12-21)31-30(34)35-19-22-13-8-5-9-14-22/h4-9,11-16,18,26H,3,10,17,19H2,1-2H3,(H,31,34)