methyl 3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O5/c1-29-22(28)15-8-9-17(24-10-4-5-11-24)16(12-15)23-20(26)13-25-18-6-2-3-7-19(18)30-14-21(25)27/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,23,26)