4-[[[azanyl-(3-pyrrolidin-1-ylpropylamino)methylidene]amino]methyl]benzoic acid

Systemtic Name: 4-[[[azanyl-(3-pyrrolidin-1-ylpropylamino)methylidene]amino]methyl]benzoic acid Openeye Name: 4-[[[amino-(3-pyrrolidin-1-ylpropylamino)methylene]amino]methyl]benzoic acid CAS Name: 4-[[[amino-[3-(1-pyrrolidinyl)propylamino]methylidene]amino]methyl]benzoic acid IUPAC Name: 4-[[[amino-(3-pyrrolidin-1-ylpropylamino)methylidene]amino]methyl]benzoic acid Traditional Name: 4-[[[amino-(3-pyrrolidinopropylamino)methylene]amino]methyl]benzoic acid Formula: C16H24N4O2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=NCC2=CC=C(C=C2)C(=O)O)N

Isomeric SMILES

C1CCN(C1)CCCNC(=NCC2=CC=C(C=C2)C(=O)O)N

InChI

InChI=1S/C16H24N4O2/c17-16(18-8-3-11-20-9-1-2-10-20)19-12-13-4-6-14(7-5-13)15(21)22/h4-7H,1-3,8-12H2,(H,21,22)(H3,17,18,19)