2-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]benzoic acid

Systemtic Name: 2-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]benzoic acid Openeye Name: 2-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]benzoic acid CAS Name: 2-[[3,6-bis[[1-oxo-3-(1-pyrrolidinyl)propyl]amino]-9-acridinyl]amino]benzoic acid IUPAC Name: 2-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]benzoic acid Traditional Name: 2-[[3,6-bis(3-pyrrolidinopropanoylamino)acridin-9-yl]amino]benzoic acid Formula: C34H38N6O4 MolecularWeight: 594.70332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(=O)NC2=CC3=C(C=C2)C(=C4C=CC(=CC4=N3)NC(=O)CCN5CCCC5)NC6=CC=CC=C6C(=O)O

Isomeric SMILES

C1CCN(C1)CCC(=O)NC2=CC3=C(C=C2)C(=C4C=CC(=CC4=N3)NC(=O)CCN5CCCC5)NC6=CC=CC=C6C(=O)O

InChI

InChI=1S/C34H38N6O4/c41-31(13-19-39-15-3-4-16-39)35-23-9-11-25-29(21-23)37-30-22-24(36-32(42)14-20-40-17-5-6-18-40)10-12-26(30)33(25)38-28-8-2-1-7-27(28)34(43)44/h1-2,7-12,21-22H,3-6,13-20H2,(H,35,41)(H,36,42)(H,37,38)(H,43,44)