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

Systemtic Name: ethyl 4-[3-oxidanylidene-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenyl-butanoate Openeye Name: ethyl 4-[3-oxo-4-[3-(2-pyridylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenyl-butanoate CAS Name: 4-[3-oxo-4-[3-(2-pyridinylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-oxo-4-[3-(pyridin-2-ylamino)propyl]-1,4-benzoxazin-7-yl]-3-phenylbutanoate Traditional Name: 4-[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(CC1=CC2=C(C=C1)N(C(=O)CO2)CCCNC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(CC1=CC2=C(C=C1)N(C(=O)CO2)CCCNC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-2-34-28(33)19-23(22-9-4-3-5-10-22)17-21-12-13-24-25(18-21)35-20-27(32)31(24)16-8-15-30-26-11-6-7-14-29-26/h3-7,9-14,18,23H,2,8,15-17,19-20H2,1H3,(H,29,30)