3-chloranyl-4-propoxy-benzoate; phenylmethanamine

Systemtic Name: 3-chloranyl-4-propoxy-benzoate; phenylmethanamine Openeye Name: 3-chloro-4-propoxy-benzoate; phenylmethanamine CAS Name: 3-chloro-4-propoxybenzoate; phenylmethanamine IUPAC Name: 3-chloro-4-propoxybenzoate; phenylmethanamine Traditional Name: benzylamine; 3-chloro-4-propoxy-benzoate Formula: C17H19ClNO3- MolecularWeight: 320.79066

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)[O-])Cl.C1=CC=C(C=C1)CN

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)[O-])Cl.C1=CC=C(C=C1)CN

InChI

InChI=1S/C10H11ClO3.C7H9N/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11;8-6-7-4-2-1-3-5-7/h3-4,6H,2,5H2,1H3,(H,12,13);1-5H,6,8H2/p-1