1-[5-[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]pentyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]pentyl]piperidine-2-carboxylic acid Openeye Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzoxazin-4-yl]pentyl]piperidine-2-carboxylic acid CAS Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzoxazin-4-yl]pentyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[5-[2-(3-carbamimidoylphenyl)-3-oxo-1,4-benzoxazin-4-yl]pentyl]piperidine-2-carboxylic acid Traditional Name: 1-[5-[2-(3-amidinophenyl)-3-keto-1,4-benzoxazin-4-yl]pentyl]pipecolinic acid Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C(C1)C(=O)O)CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H32N4O4/c27-24(28)19-10-8-9-18(17-19)23-25(31)30(20-11-2-3-13-22(20)34-23)16-6-1-5-14-29-15-7-4-12-21(29)26(32)33/h2-3,8-11,13,17,21,23H,1,4-7,12,14-16H2,(H3,27,28)(H,32,33)