3-[2-(5-butylnonan-5-yloxycarbonylamino)ethyl]benzoic acid

Systemtic Name: 3-[2-(5-butylnonan-5-yloxycarbonylamino)ethyl]benzoic acid Openeye Name: 3-[2-(1,1-dibutylpentoxycarbonylamino)ethyl]benzoic acid CAS Name: 3-[2-[[5-butylnonan-5-yloxy(oxo)methyl]amino]ethyl]benzoic acid IUPAC Name: 3-[2-(5-butylnonan-5-yloxycarbonylamino)ethyl]benzoic acid Traditional Name: 3-[2-(1,1-dibutylpentoxycarbonylamino)ethyl]benzoic acid Formula: C23H37NO4 MolecularWeight: 391.54418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CCCC)OC(=O)NCCC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCC(CCCC)(CCCC)OC(=O)NCCC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C23H37NO4/c1-4-7-14-23(15-8-5-2,16-9-6-3)28-22(27)24-17-13-19-11-10-12-20(18-19)21(25)26/h10-12,18H,4-9,13-17H2,1-3H3,(H,24,27)(H,25,26)