2,6-dimethoxy-10-phenyl-4-(phenylmethoxycarbonylaminomethyl)acridin-10-ium-9-carboxylic acid

Systemtic Name: 2,6-dimethoxy-10-phenyl-4-(phenylmethoxycarbonylaminomethyl)acridin-10-ium-9-carboxylic acid Openeye Name: 4-(benzyloxycarbonylaminomethyl)-2,6-dimethoxy-10-phenyl-acridin-10-ium-9-carboxylic acid CAS Name: 2,6-dimethoxy-10-phenyl-4-(phenylmethoxycarbonylaminomethyl)-9-acridin-10-iumcarboxylic acid IUPAC Name: 2,6-dimethoxy-10-phenyl-4-(phenylmethoxycarbonylaminomethyl)acridin-10-ium-9-carboxylic acid Traditional Name: 4-(benzyloxycarbonylaminomethyl)-2,6-dimethoxy-10-phenyl-acridin-10-ium-9-carboxylic acid Formula: C31H27N2O6+ MolecularWeight: 523.55588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[N+](C3=C(C=C(C=C3C(=C2C=C1)C(=O)O)OC)CNC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=[N+](C3=C(C=C(C=C3C(=C2C=C1)C(=O)O)OC)CNC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26N2O6/c1-37-23-13-14-25-27(17-23)33(22-11-7-4-8-12-22)29-21(15-24(38-2)16-26(29)28(25)30(34)35)18-32-31(36)39-19-20-9-5-3-6-10-20/h3-17H,18-19H2,1-2H3,(H-,32,34,35,36)/p+1