2-[2-[hydroxymethyl-[2-(7-methyloctanoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[hydroxymethyl-[2-(7-methyloctanoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[hydroxymethyl-[2-(7-methyloctanoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-[hydroxymethyl-[2-[(7-methyl-1-oxooctyl)amino]ethyl]amino]ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[hydroxymethyl-[2-(7-methyloctanoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[2-(7-methyloctanoylamino)ethyl-methylol-amino]ethylcarbamoyl]benzoic acid Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)NCCN(CCNC(=O)C1=CC=CC=C1C(=O)O)CO

Isomeric SMILES

CC(C)CCCCCC(=O)NCCN(CCNC(=O)C1=CC=CC=C1C(=O)O)CO

InChI

InChI=1S/C22H35N3O5/c1-17(2)8-4-3-5-11-20(27)23-12-14-25(16-26)15-13-24-21(28)18-9-6-7-10-19(18)22(29)30/h6-7,9-10,17,26H,3-5,8,11-16H2,1-2H3,(H,23,27)(H,24,28)(H,29,30)