(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-butyl-8-methyl-2-oxo-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-8-methyl-2-oxochromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (4-butyl-2-keto-8-methyl-chromen-7-yl) ester Formula: C31H31NO6 MolecularWeight: 513.58094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H31NO6/c1-3-4-15-24-19-28(33)38-29-21(2)27(17-16-25(24)29)37-30(34)26(18-22-11-7-5-8-12-22)32-31(35)36-20-23-13-9-6-10-14-23/h5-14,16-17,19,26H,3-4,15,18,20H2,1-2H3,(H,32,35)/t26-/m0/s1