2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylic acid

Systemtic Name: 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylic acid Openeye Name: 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid CAS Name: 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid IUPAC Name: 2-(3-carbamimidoylphenyl)-4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid Traditional Name: 2-(3-amidinophenyl)-4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-1,4-benzoxazine-7-carboxylic acid Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=C(C=C(C=C3)C(=O)O)OC(C2=O)C4=CC=CC(=C4)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=C(C=C(C=C3)C(=O)O)OC(C2=O)C4=CC=CC(=C4)C(=N)N)C

InChI

InChI=1S/C28H36N4O4/c1-18-8-6-9-19(2)31(18)14-4-3-5-15-32-23-13-12-22(28(34)35)17-24(23)36-25(27(32)33)20-10-7-11-21(16-20)26(29)30/h7,10-13,16-19,25H,3-6,8-9,14-15H2,1-2H3,(H3,29,30)(H,34,35)