4-(dimethylamino)-3-[1-(4-methoxycarbonylphenyl)butan-2-ylcarbamoylamino]benzoic acid

Systemtic Name: 4-(dimethylamino)-3-[1-(4-methoxycarbonylphenyl)butan-2-ylcarbamoylamino]benzoic acid Openeye Name: 4-(dimethylamino)-3-[1-[(4-methoxycarbonylphenyl)methyl]propylcarbamoylamino]benzoic acid CAS Name: 4-(dimethylamino)-3-[[[1-(4-methoxycarbonylphenyl)butan-2-ylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-(dimethylamino)-3-[1-(4-methoxycarbonylphenyl)butan-2-ylcarbamoylamino]benzoic acid Traditional Name: 3-[1-(4-carbomethoxybenzyl)propylcarbamoylamino]-4-(dimethylamino)benzoic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C(=O)OC)NC(=O)NC2=C(C=CC(=C2)C(=O)O)N(C)C

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C(=O)OC)NC(=O)NC2=C(C=CC(=C2)C(=O)O)N(C)C

InChI

InChI=1S/C22H27N3O5/c1-5-17(12-14-6-8-15(9-7-14)21(28)30-4)23-22(29)24-18-13-16(20(26)27)10-11-19(18)25(2)3/h6-11,13,17H,5,12H2,1-4H3,(H,26,27)(H2,23,24,29)