[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid [4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-methyl-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (3-benzyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H25NO6/c1-19-23-13-12-22(17-25(23)35-27(31)24(19)16-20-8-4-2-5-9-20)34-26(30)14-15-29-28(32)33-18-21-10-6-3-7-11-21/h2-13,17H,14-16,18H2,1H3,(H,29,32)