4-[1-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethylcarbamoylamino]furan-3-carboxylic acid

Systemtic Name: 4-[1-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethylcarbamoylamino]furan-3-carboxylic acid Openeye Name: 4-[1-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethylcarbamoylamino]furan-3-carboxylic acid CAS Name: 4-[[[1-[4-(2,6-dimethylphenyl)-1-piperazinyl]ethylamino]-oxomethyl]amino]-3-furancarboxylic acid IUPAC Name: 4-[1-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethylcarbamoylamino]furan-3-carboxylic acid Traditional Name: 4-[1-[4-(2,6-dimethylphenyl)piperazino]ethylcarbamoylamino]-3-furoic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)C(C)NC(=O)NC3=COC=C3C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)C(C)NC(=O)NC3=COC=C3C(=O)O

InChI

InChI=1S/C20H26N4O4/c1-13-5-4-6-14(2)18(13)24-9-7-23(8-10-24)15(3)21-20(27)22-17-12-28-11-16(17)19(25)26/h4-6,11-12,15H,7-10H2,1-3H3,(H,25,26)(H2,21,22,27)