4-[4-[[4-(aminomethyl)cyclohexyl]-oxidanyl-methyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[[4-(aminomethyl)cyclohexyl]-oxidanyl-methyl]phenyl]butanoic acid Openeye Name: 4-[4-[[4-(aminomethyl)cyclohexyl]-hydroxy-methyl]phenyl]butanoic acid CAS Name: 4-[4-[[4-(aminomethyl)cyclohexyl]-hydroxymethyl]phenyl]butanoic acid IUPAC Name: 4-[4-[[4-(aminomethyl)cyclohexyl]-hydroxymethyl]phenyl]butanoic acid Traditional Name: 4-[4-[[4-(aminomethyl)cyclohexyl]-hydroxy-methyl]phenyl]butyric acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(C2=CC=C(C=C2)CCCC(=O)O)O

Isomeric SMILES

C1CC(CCC1CN)C(C2=CC=C(C=C2)CCCC(=O)O)O

InChI

InChI=1S/C18H27NO3/c19-12-14-6-10-16(11-7-14)18(22)15-8-4-13(5-9-15)2-1-3-17(20)21/h4-5,8-9,14,16,18,22H,1-3,6-7,10-12,19H2,(H,20,21)