2-[[3-[[2-diethylaminoethyl(methyl)amino]methyl]phenyl]carbonylamino]-5-piperidin-1-yl-benzoic acid

Systemtic Name: 2-[[3-[[2-diethylaminoethyl(methyl)amino]methyl]phenyl]carbonylamino]-5-piperidin-1-yl-benzoic acid Openeye Name: 2-[[3-[[2-diethylaminoethyl(methyl)amino]methyl]benzoyl]amino]-5-(1-piperidyl)benzoic acid CAS Name: 2-[[[3-[[2-diethylaminoethyl(methyl)amino]methyl]phenyl]-oxomethyl]amino]-5-(1-piperidinyl)benzoic acid IUPAC Name: 2-[[3-[[2-diethylaminoethyl(methyl)amino]methyl]benzoyl]amino]-5-piperidin-1-ylbenzoic acid Traditional Name: 2-[[3-[[2-diethylaminoethyl(methyl)amino]methyl]benzoyl]amino]-5-piperidino-benzoic acid Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C)CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)N3CCCCC3)C(=O)O

Isomeric SMILES

CCN(CC)CCN(C)CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)N3CCCCC3)C(=O)O

InChI

InChI=1S/C27H38N4O3/c1-4-30(5-2)17-16-29(3)20-21-10-9-11-22(18-21)26(32)28-25-13-12-23(19-24(25)27(33)34)31-14-7-6-8-15-31/h9-13,18-19H,4-8,14-17,20H2,1-3H3,(H,28,32)(H,33,34)