4-[2-[[(3-cyclohexyl-3-oxidanyl-propyl)amino]-ethanoyl-amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[[(3-cyclohexyl-3-oxidanyl-propyl)amino]-ethanoyl-amino]ethyl]benzoic acid Openeye Name: 4-[2-[acetyl-[(3-cyclohexyl-3-hydroxy-propyl)amino]amino]ethyl]benzoic acid CAS Name: 4-[2-[acetyl-[(3-cyclohexyl-3-hydroxypropyl)amino]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[acetyl-[(3-cyclohexyl-3-hydroxypropyl)amino]amino]ethyl]benzoic acid Traditional Name: 4-[2-[acetyl-[(3-cyclohexyl-3-hydroxy-propyl)amino]amino]ethyl]benzoic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(C2CCCCC2)O

Isomeric SMILES

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(C2CCCCC2)O

InChI

InChI=1S/C20H30N2O4/c1-15(23)22(14-12-16-7-9-18(10-8-16)20(25)26)21-13-11-19(24)17-5-3-2-4-6-17/h7-10,17,19,21,24H,2-6,11-14H2,1H3,(H,25,26)