[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl] (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C36H31NO8 MolecularWeight: 605.63324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C5=CC6=C(C=C5)OCCCO6

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C5=CC6=C(C=C5)OCCCO6

InChI

InChI=1S/C36H31NO8/c1-23-33(26-13-16-30-32(20-26)42-18-8-17-41-30)34(38)28-15-14-27(21-31(28)44-23)45-35(39)29(19-24-9-4-2-5-10-24)37-36(40)43-22-25-11-6-3-7-12-25/h2-7,9-16,20-21,29H,8,17-19,22H2,1H3,(H,37,40)/t29-/m0/s1