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

Systemtic Name: 3-[1-(4-carboxyphenyl)butan-2-ylcarbamoylamino]-4-(dimethylamino)benzoic acid Openeye Name: 3-[1-[(4-carboxyphenyl)methyl]propylcarbamoylamino]-4-(dimethylamino)benzoic acid CAS Name: 3-[[[1-(4-carboxyphenyl)butan-2-ylamino]-oxomethyl]amino]-4-(dimethylamino)benzoic acid IUPAC Name: 3-[1-(4-carboxyphenyl)butan-2-ylcarbamoylamino]-4-(dimethylamino)benzoic acid Traditional Name: 3-[1-(4-carboxybenzyl)propylcarbamoylamino]-4-(dimethylamino)benzoic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-4-16(11-13-5-7-14(8-6-13)19(25)26)22-21(29)23-17-12-15(20(27)28)9-10-18(17)24(2)3/h5-10,12,16H,4,11H2,1-3H3,(H,25,26)(H,27,28)(H2,22,23,29)