methyl 3-[4-[[4-(aminomethyl)cyclohexyl]-oxidanyl-methyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[[4-(aminomethyl)cyclohexyl]-oxidanyl-methyl]phenyl]propanoate Openeye Name: methyl 3-[4-[[4-(aminomethyl)cyclohexyl]-hydroxy-methyl]phenyl]propanoate CAS Name: 3-[4-[[4-(aminomethyl)cyclohexyl]-hydroxymethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[4-(aminomethyl)cyclohexyl]-hydroxymethyl]phenyl]propanoate Traditional Name: 3-[4-[[4-(aminomethyl)cyclohexyl]-hydroxy-methyl]phenyl]propionic acid methyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(C2CCC(CC2)CN)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(C2CCC(CC2)CN)O

InChI

InChI=1S/C18H27NO3/c1-22-17(20)11-6-13-2-7-15(8-3-13)18(21)16-9-4-14(12-19)5-10-16/h2-3,7-8,14,16,18,21H,4-6,9-12,19H2,1H3