ethyl 3-[[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[3-oxo-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-phenyl-propanoate CAS Name: 3-[[3-oxo-4-[3-(2-pyridinylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-oxo-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-phenylpropanoate Traditional Name: 3-[[3-keto-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]amino]-3-phenyl-propionic acid ethyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC2=CC3=C(C=C2)N(C(=O)CO3)CCCNC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC2=CC3=C(C=C2)N(C(=O)CO3)CCCNC4=CC=CC=N4

InChI

InChI=1S/C27H30N4O4/c1-2-34-27(33)18-22(20-9-4-3-5-10-20)30-21-12-13-23-24(17-21)35-19-26(32)31(23)16-8-15-29-25-11-6-7-14-28-25/h3-7,9-14,17,22,30H,2,8,15-16,18-19H2,1H3,(H,28,29)