methyl 3-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O5/c1-30-23(29)16-8-9-18(25-11-4-5-12-25)17(14-16)24-21(27)10-13-26-19-6-2-3-7-20(19)31-15-22(26)28/h2-3,6-9,14H,4-5,10-13,15H2,1H3,(H,24,27)