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

Systemtic Name: [4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] (2S)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3-benzyl-4-methyl-2-oxo-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)propanoic acid [4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(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)C(C)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H25NO6/c1-18-23-14-13-22(16-25(23)35-27(31)24(18)15-20-9-5-3-6-10-20)34-26(30)19(2)29-28(32)33-17-21-11-7-4-8-12-21/h3-14,16,19H,15,17H2,1-2H3,(H,29,32)/t19-/m0/s1