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2-[3-(1-adamantylcarbonylamino)propanoylamino]benzoic acid

2-[3-(1-adamantylcarbonylamino)propanoylamino]benzoic acid

Systemtic Name:2-[3-(1-adamantylcarbonylamino)propanoylamino]benzoic acid
Openeye Name:2-[3-(adamantane-1-carbonylamino)propanoylamino]benzoic acid
CAS Name:2-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]benzoic acid
IUPAC Name:2-[3-(adamantane-1-carbonylamino)propanoylamino]benzoic acid
Traditional Name:2-[3-(adamantane-1-carbonylamino)propanoylamino]benzoic acid
Formula: C21H26N2O4
MolecularWeight: 370.44214
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)O


InChI

InChI=1S/C21H26N2O4/c24-18(23-17-4-2-1-3-16(17)19(25)26)5-6-22-20(27)21-10-13-7-14(11-21)9-15(8-13)12-21/h1-4,13-15H,5-12H2,(H,22,27)(H,23,24)(H,25,26)


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