4-[bis[3-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]propyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[bis[3-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]propyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[bis[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propyl]amino]-4-oxo-butanoic acid CAS Name: 4-[bis[3-[(6-chloro-2-methoxy-9-acridinyl)amino]propyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[bis[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]amino]-4-oxobutanoic acid Traditional Name: 4-[bis[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propyl]amino]-4-keto-butyric acid Formula: C38H37Cl2N5O5 MolecularWeight: 714.63688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC)C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC)C(=O)CCC(=O)O

InChI

InChI=1S/C38H37Cl2N5O5/c1-49-25-7-11-31-29(21-25)37(27-9-5-23(39)19-33(27)43-31)41-15-3-17-45(35(46)13-14-36(47)48)18-4-16-42-38-28-10-6-24(40)20-34(28)44-32-12-8-26(50-2)22-30(32)38/h5-12,19-22H,3-4,13-18H2,1-2H3,(H,41,43)(H,42,44)(H,47,48)