4-[methyl-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]amino]benzoic acid

Systemtic Name: 4-[methyl-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]amino]benzoic acid Openeye Name: 4-[methyl-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]amino]benzoic acid CAS Name: 4-[methyl-[[1-(3-methyl-1-oxobutyl)-2-pyrrolidinyl]methyl]amino]benzoic acid IUPAC Name: 4-[methyl-[[1-(3-methylbutanoyl)pyrrolidin-2-yl]methyl]amino]benzoic acid Traditional Name: 4-[(1-isovalerylpyrrolidin-2-yl)methyl-methyl-amino]benzoic acid Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC1CN(C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1CCCC1CN(C)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H26N2O3/c1-13(2)11-17(21)20-10-4-5-16(20)12-19(3)15-8-6-14(7-9-15)18(22)23/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,22,23)