sodium 3-(acridin-9-ylamino)-2-[(3-aminophenyl)methoxy]butanoate

Systemtic Name: sodium 3-(acridin-9-ylamino)-2-[(3-aminophenyl)methoxy]butanoate Openeye Name: sodium 3-(acridin-9-ylamino)-2-[(3-aminophenyl)methoxy]butanoate CAS Name: sodium 3-(9-acridinylamino)-2-[(3-aminophenyl)methoxy]butanoate IUPAC Name: sodium 3-(acridin-9-ylamino)-2-[(3-aminophenyl)methoxy]butanoate Traditional Name: sodium 3-(acridin-9-ylamino)-2-(3-aminobenzyl)oxy-butyrate Formula: C24H22N3NaO3 MolecularWeight: 423.43955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])OCC1=CC(=CC=C1)N)NC2=C3C=CC=CC3=NC4=CC=CC=C42.[Na+]

Isomeric SMILES

CC(C(C(=O)[O-])OCC1=CC(=CC=C1)N)NC2=C3C=CC=CC3=NC4=CC=CC=C42.[Na+]

InChI

InChI=1S/C24H23N3O3.Na/c1-15(23(24(28)29)30-14-16-7-6-8-17(25)13-16)26-22-18-9-2-4-11-20(18)27-21-12-5-3-10-19(21)22;/h2-13,15,23H,14,25H2,1H3,(H,26,27)(H,28,29);/q;+1/p-1