2-azanyl-5-[3-(4-azanyl-3-carboxy-phenyl)-1,5-bis(2-dimethylaminoethyloxy)pentan-3-yl]benzoic acid

Systemtic Name: 2-azanyl-5-[3-(4-azanyl-3-carboxy-phenyl)-1,5-bis(2-dimethylaminoethyloxy)pentan-3-yl]benzoic acid Openeye Name: 2-amino-5-[1-(4-amino-3-carboxy-phenyl)-3-(2-dimethylaminoethyloxy)-1-[2-(2-dimethylaminoethyloxy)ethyl]propyl]benzoic acid CAS Name: 2-amino-5-[3-(4-amino-3-carboxyphenyl)-1,5-bis(2-dimethylaminoethyloxy)pentan-3-yl]benzoic acid IUPAC Name: 2-amino-5-[3-(4-amino-3-carboxyphenyl)-1,5-bis(2-dimethylaminoethyloxy)pentan-3-yl]benzoic acid Traditional Name: 2-amino-5-[1-(4-amino-3-carboxy-phenyl)-3-(2-dimethylaminoethyloxy)-1-[2-(2-dimethylaminoethyloxy)ethyl]propyl]benzoic acid Formula: C27H40N4O6 MolecularWeight: 516.6297

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOCCC(CCOCCN(C)C)(C1=CC(=C(C=C1)N)C(=O)O)C2=CC(=C(C=C2)N)C(=O)O

Isomeric SMILES

CN(C)CCOCCC(CCOCCN(C)C)(C1=CC(=C(C=C1)N)C(=O)O)C2=CC(=C(C=C2)N)C(=O)O

InChI

InChI=1S/C27H40N4O6/c1-30(2)11-15-36-13-9-27(10-14-37-16-12-31(3)4,19-5-7-23(28)21(17-19)25(32)33)20-6-8-24(29)22(18-20)26(34)35/h5-8,17-18H,9-16,28-29H2,1-4H3,(H,32,33)(H,34,35)