4-[2-[(Z)-N'-oxidanylcarbamimidoyl]-8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid

Systemtic Name: 4-[2-[(Z)-N'-oxidanylcarbamimidoyl]-8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[2-[(Z)-N'-hydroxycarbamimidoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[2-[(Z)-amino(hydroxyimino)methyl]-8-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[2-[(Z)-N'-hydroxycarbamimidoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[2-[(Z)-aminocarbohydroximoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C30H34N4O6 MolecularWeight: 546.61416

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=NO)N

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)/C(=N/O)/N

InChI

InChI=1S/C30H34N4O6/c31-29(33-38)26-20-34(18-7-13-27(35)36)25-12-6-11-24(28(25)40-26)32-30(37)22-14-16-23(17-15-22)39-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,14-17,26,38H,4-5,7,10,13,18-20H2,(H2,31,33)(H,32,37)(H,35,36)