3-[[butyl-[4-[(propan-2-ylamino)methyl]phenyl]carbonyl-amino]methyl]benzoic acid

Systemtic Name: 3-[[butyl-[4-[(propan-2-ylamino)methyl]phenyl]carbonyl-amino]methyl]benzoic acid Openeye Name: 3-[[butyl-[4-[(isopropylamino)methyl]benzoyl]amino]methyl]benzoic acid CAS Name: 3-[[butyl-[oxo-[4-[(propan-2-ylamino)methyl]phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 3-[[butyl-[4-[(propan-2-ylamino)methyl]benzoyl]amino]methyl]benzoic acid Traditional Name: 3-[[butyl-[4-[(isopropylamino)methyl]benzoyl]amino]methyl]benzoic acid Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)CNC(C)C

Isomeric SMILES

CCCCN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)CNC(C)C

InChI

InChI=1S/C23H30N2O3/c1-4-5-13-25(16-19-7-6-8-21(14-19)23(27)28)22(26)20-11-9-18(10-12-20)15-24-17(2)3/h6-12,14,17,24H,4-5,13,15-16H2,1-3H3,(H,27,28)