methyl 4-[[6-azanylhexanoyl-[(4-methoxycarbonyl-3-oxidanyl-phenyl)methyl]amino]methyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[[6-azanylhexanoyl-[(4-methoxycarbonyl-3-oxidanyl-phenyl)methyl]amino]methyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[[6-aminohexanoyl-[(3-hydroxy-4-methoxycarbonyl-phenyl)methyl]amino]methyl]-2-hydroxy-benzoate CAS Name: 4-[[(6-amino-1-oxohexyl)-[(3-hydroxy-4-methoxycarbonylphenyl)methyl]amino]methyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-aminohexanoyl-[(3-hydroxy-4-methoxycarbonylphenyl)methyl]amino]methyl]-2-hydroxybenzoate Traditional Name: 4-[[6-aminohexanoyl-(4-carbomethoxy-3-hydroxy-benzyl)amino]methyl]-2-hydroxy-benzoic acid methyl ester Formula: C24H30N2O7 MolecularWeight: 458.5042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CN(CC2=CC(=C(C=C2)C(=O)OC)O)C(=O)CCCCCN)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CN(CC2=CC(=C(C=C2)C(=O)OC)O)C(=O)CCCCCN)O

InChI

InChI=1S/C24H30N2O7/c1-32-23(30)18-9-7-16(12-20(18)27)14-26(22(29)6-4-3-5-11-25)15-17-8-10-19(21(28)13-17)24(31)33-2/h7-10,12-13,27-28H,3-6,11,14-15,25H2,1-2H3