4-[1-adamantyl-(4-chlorophenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[1-adamantyl-(4-chlorophenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[1-adamantyl-(4-chlorobenzoyl)amino]butanoic acid CAS Name: 4-[1-adamantyl-[(4-chlorophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[1-adamantyl-(4-chlorobenzoyl)amino]butanoic acid Traditional Name: 4-[1-adamantyl-(4-chlorobenzoyl)amino]butyric acid Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCCC(=O)O)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCCC(=O)O)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H26ClNO3/c22-18-5-3-17(4-6-18)20(26)23(7-1-2-19(24)25)21-11-14-8-15(12-21)10-16(9-14)13-21/h3-6,14-16H,1-2,7-13H2,(H,24,25)