4-ethylbenzoic acid; (phenylmethyl) carbamate

Systemtic Name: 4-ethylbenzoic acid; (phenylmethyl) carbamate Openeye Name: benzyl carbamate; 4-ethylbenzoic acid CAS Name: carbamic acid (phenylmethyl) ester; 4-ethylbenzoic acid IUPAC Name: benzyl carbamate; 4-ethylbenzoic acid Traditional Name: carbamic acid benzyl ester; 4-ethylbenzoic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)COC(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)COC(=O)N

InChI

InChI=1S/C9H10O2.C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11;9-8(10)11-6-7-4-2-1-3-5-7/h3-6H,2H2,1H3,(H,10,11);1-5H,6H2,(H2,9,10)