(4-oxidanylidene-3-phenoxy-chromen-7-yl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (4-oxidanylidene-3-phenoxy-chromen-7-yl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (4-oxo-3-phenoxy-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (4-oxo-3-phenoxy-1-benzopyran-7-yl) ester IUPAC Name: (4-oxo-3-phenoxychromen-7-yl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-methyl-valeric acid (4-keto-3-phenoxy-chromen-7-yl) ester Formula: C29H27NO7 MolecularWeight: 501.52718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO7/c1-19(2)15-24(30-29(33)35-17-20-9-5-3-6-10-20)28(32)37-22-13-14-23-25(16-22)34-18-26(27(23)31)36-21-11-7-4-8-12-21/h3-14,16,18-19,24H,15,17H2,1-2H3,(H,30,33)/t24-/m0/s1