(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO6/c1-3-22-16-23-19(2)14-27(31)35-26(23)17-25(22)36-28(32)24(15-20-10-6-4-7-11-20)30-29(33)34-18-21-12-8-5-9-13-21/h4-14,16-17,24H,3,15,18H2,1-2H3,(H,30,33)/t24-/m0/s1