2-[4-[[4-(aminomethyl)cyclohexyl]-oxidanyl-methyl]phenyl]propanoic acid

Systemtic Name: 2-[4-[[4-(aminomethyl)cyclohexyl]-oxidanyl-methyl]phenyl]propanoic acid Openeye Name: 2-[4-[[4-(aminomethyl)cyclohexyl]-hydroxy-methyl]phenyl]propanoic acid CAS Name: 2-[4-[[4-(aminomethyl)cyclohexyl]-hydroxymethyl]phenyl]propanoic acid IUPAC Name: 2-[4-[[4-(aminomethyl)cyclohexyl]-hydroxymethyl]phenyl]propanoic acid Traditional Name: 2-[4-[[4-(aminomethyl)cyclohexyl]-hydroxy-methyl]phenyl]propionic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(C2CCC(CC2)CN)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C(C2CCC(CC2)CN)O)C(=O)O

InChI

InChI=1S/C17H25NO3/c1-11(17(20)21)13-6-8-15(9-7-13)16(19)14-4-2-12(10-18)3-5-14/h6-9,11-12,14,16,19H,2-5,10,18H2,1H3,(H,20,21)