2-[[4-[[4-(1H-benzimidazol-2-yl)phenyl]carbonyl-piperazin-1-yl-amino]phenyl]methoxycarbonylamino]propanoic acid

Systemtic Name: 2-[[4-[[4-(1H-benzimidazol-2-yl)phenyl]carbonyl-piperazin-1-yl-amino]phenyl]methoxycarbonylamino]propanoic acid Openeye Name: 2-[[4-[[4-(1H-benzimidazol-2-yl)benzoyl]-piperazin-1-yl-amino]phenyl]methoxycarbonylamino]propanoic acid CAS Name: 2-[[[4-[[[4-(1H-benzimidazol-2-yl)phenyl]-oxomethyl]-(1-piperazinyl)amino]phenyl]methoxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[[4-(1H-benzimidazol-2-yl)benzoyl]-piperazin-1-ylamino]phenyl]methoxycarbonylamino]propanoic acid Traditional Name: 2-[[4-[[4-(1H-benzimidazol-2-yl)benzoyl]-piperazino-amino]benzyl]oxycarbonylamino]propionic acid Formula: C29H30N6O5 MolecularWeight: 542.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)OCC1=CC=C(C=C1)N(C(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)N5CCNCC5

Isomeric SMILES

CC(C(=O)O)NC(=O)OCC1=CC=C(C=C1)N(C(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)N5CCNCC5

InChI

InChI=1S/C29H30N6O5/c1-19(28(37)38)31-29(39)40-18-20-6-12-23(13-7-20)35(34-16-14-30-15-17-34)27(36)22-10-8-21(9-11-22)26-32-24-4-2-3-5-25(24)33-26/h2-13,19,30H,14-18H2,1H3,(H,31,39)(H,32,33)(H,37,38)