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

Systemtic Name: ethyl 3-[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenyl-butanoate Openeye Name: ethyl 3-[3-oxo-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenyl-butanoate CAS Name: 3-[3-oxo-4-[3-(2-pyridinylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 3-[3-oxo-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoate Traditional Name: 3-[3-keto-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenyl-butyric acid ethyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O4/c1-3-34-27(33)19-28(2,21-10-5-4-6-11-21)22-13-14-23-24(18-22)35-20-26(32)31(23)17-9-16-30-25-12-7-8-15-29-25/h4-8,10-15,18H,3,9,16-17,19-20H2,1-2H3,(H,29,30)