2-[3-azanyl-2-methyl-5-[[5-(propylamino)pentylamino]methyl]-2H-1,4-benzoxazin-6-yl]butanedioic acid

Systemtic Name: 2-[3-azanyl-2-methyl-5-[[5-(propylamino)pentylamino]methyl]-2H-1,4-benzoxazin-6-yl]butanedioic acid Openeye Name: 2-[3-amino-2-methyl-5-[[5-(propylamino)pentylamino]methyl]-2H-1,4-benzoxazin-6-yl]butanedioic acid CAS Name: 2-[3-amino-2-methyl-5-[[5-(propylamino)pentylamino]methyl]-2H-1,4-benzoxazin-6-yl]butanedioic acid IUPAC Name: 2-[3-amino-2-methyl-5-[[5-(propylamino)pentylamino]methyl]-2H-1,4-benzoxazin-6-yl]butanedioic acid Traditional Name: 2-[3-amino-2-methyl-5-[[5-(propylamino)pentylamino]methyl]-2H-1,4-benzoxazin-6-yl]succinic acid Formula: C22H34N4O5 MolecularWeight: 434.52916

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCCCCNCC1=C(C=CC2=C1N=C(C(O2)C)N)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCNCCCCCNCC1=C(C=CC2=C1N=C(C(O2)C)N)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H34N4O5/c1-3-9-24-10-5-4-6-11-25-13-17-15(16(22(29)30)12-19(27)28)7-8-18-20(17)26-21(23)14(2)31-18/h7-8,14,16,24-25H,3-6,9-13H2,1-2H3,(H2,23,26)(H,27,28)(H,29,30)