3-[4-[[4-(acridin-9-ylamino)phenyl]carbamoylamino]phenyl]-2-azanyl-propanoic acid

Systemtic Name: 3-[4-[[4-(acridin-9-ylamino)phenyl]carbamoylamino]phenyl]-2-azanyl-propanoic acid Openeye Name: 3-[4-[[4-(acridin-9-ylamino)phenyl]carbamoylamino]phenyl]-2-amino-propanoic acid CAS Name: 3-[4-[[[4-(9-acridinylamino)anilino]-oxomethyl]amino]phenyl]-2-aminopropanoic acid IUPAC Name: 3-[4-[[4-(acridin-9-ylamino)phenyl]carbamoylamino]phenyl]-2-aminopropanoic acid Traditional Name: 3-[4-[[4-(acridin-9-ylamino)phenyl]carbamoylamino]phenyl]-2-amino-propionic acid Formula: C29H25N5O3 MolecularWeight: 491.5405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)CC(C(=O)O)N

InChI

InChI=1S/C29H25N5O3/c30-24(28(35)36)17-18-9-11-20(12-10-18)32-29(37)33-21-15-13-19(14-16-21)31-27-22-5-1-3-7-25(22)34-26-8-4-2-6-23(26)27/h1-16,24H,17,30H2,(H,31,34)(H,35,36)(H2,32,33,37)