ethyl 2-azanyl-3-[3-oxidanylidene-2-[3-(phenylmethoxycarbonylamino)propyl]-4H-1,4-benzoxazin-6-yl]propanoate

Systemtic Name: ethyl 2-azanyl-3-[3-oxidanylidene-2-[3-(phenylmethoxycarbonylamino)propyl]-4H-1,4-benzoxazin-6-yl]propanoate Openeye Name: ethyl 2-amino-3-[2-[3-(benzyloxycarbonylamino)propyl]-3-oxo-4H-1,4-benzoxazin-6-yl]propanoate CAS Name: 2-amino-3-[3-oxo-2-[3-(phenylmethoxycarbonylamino)propyl]-4H-1,4-benzoxazin-6-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[3-oxo-2-[3-(phenylmethoxycarbonylamino)propyl]-4H-1,4-benzoxazin-6-yl]propanoate Traditional Name: 2-amino-3-[2-[3-(benzyloxycarbonylamino)propyl]-3-keto-4H-1,4-benzoxazin-6-yl]propionic acid ethyl ester Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)OC(C(=O)N2)CCCNC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(C=C1)OC(C(=O)N2)CCCNC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C24H29N3O6/c1-2-31-23(29)18(25)13-17-10-11-20-19(14-17)27-22(28)21(33-20)9-6-12-26-24(30)32-15-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18,21H,2,6,9,12-13,15,25H2,1H3,(H,26,30)(H,27,28)