(3S)-1-[3-(5-ethyl-7-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[3-(5-ethyl-7-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[3-(5-ethyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[3-(5-ethyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[3-(5-ethyl-7-methoxy-4-oxo-3,1-benzoxazin-2-yl)pyridin-2-yl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[3-(5-ethyl-4-keto-7-methoxy-3,1-benzoxazin-2-yl)-2-pyridyl]nipecotic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

CCC1=CC(=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCC[C@@H](C4)C(=O)O)OC

InChI

InChI=1S/C22H23N3O5/c1-3-13-10-15(29-2)11-17-18(13)22(28)30-20(24-17)16-7-4-8-23-19(16)25-9-5-6-14(12-25)21(26)27/h4,7-8,10-11,14H,3,5-6,9,12H2,1-2H3,(H,26,27)/t14-/m0/s1