2-[[5-methoxy-6-[(1-prop-2-enylpyrrolidin-2-yl)methylcarbamoyl]benzotriazol-1-yl]carbonyl-methyl-amino]benzoic acid

Systemtic Name: 2-[[5-methoxy-6-[(1-prop-2-enylpyrrolidin-2-yl)methylcarbamoyl]benzotriazol-1-yl]carbonyl-methyl-amino]benzoic acid Openeye Name: 2-[[6-[(1-allylpyrrolidin-2-yl)methylcarbamoyl]-5-methoxy-benzotriazole-1-carbonyl]-methyl-amino]benzoic acid CAS Name: 2-[[[5-methoxy-6-[oxo-[(1-prop-2-enyl-2-pyrrolidinyl)methylamino]methyl]-1-benzotriazolyl]-oxomethyl]-methylamino]benzoic acid IUPAC Name: 2-[[5-methoxy-6-[(1-prop-2-enylpyrrolidin-2-yl)methylcarbamoyl]benzotriazole-1-carbonyl]-methylamino]benzoic acid Traditional Name: 2-[[6-[(1-allylpyrrolidin-2-yl)methylcarbamoyl]-5-methoxy-benzotriazole-1-carbonyl]-methyl-amino]benzoic acid Formula: C25H28N6O5 MolecularWeight: 492.52702

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)N2C3=C(C=C(C(=C3)C(=O)NCC4CCCN4CC=C)OC)N=N2

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)N2C3=C(C=C(C(=C3)C(=O)NCC4CCCN4CC=C)OC)N=N2

InChI

InChI=1S/C25H28N6O5/c1-4-11-30-12-7-8-16(30)15-26-23(32)18-13-21-19(14-22(18)36-3)27-28-31(21)25(35)29(2)20-10-6-5-9-17(20)24(33)34/h4-6,9-10,13-14,16H,1,7-8,11-12,15H2,2-3H3,(H,26,32)(H,33,34)