ethyl 1-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbamoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbamoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]piperidine-3-carboxylate CAS Name: 1-[[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]piperidine-3-carboxylate Traditional Name: 1-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)carbamoyl]nipecotic acid ethyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)NC2=CC3=C(C=C2)OC(C(=O)N3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)NC2=CC3=C(C=C2)OC(C(=O)N3)C

InChI

InChI=1S/C18H23N3O5/c1-3-25-17(23)12-5-4-8-21(10-12)18(24)19-13-6-7-15-14(9-13)20-16(22)11(2)26-15/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,19,24)(H,20,22)