4-tert-butylbenzoic acid; 1-(isocyanatomethyl)-4-methoxy-benzene

Systemtic Name: 4-tert-butylbenzoic acid; 1-(isocyanatomethyl)-4-methoxy-benzene Openeye Name: 4-tert-butylbenzoic acid; 1-(isocyanatomethyl)-4-methoxy-benzene CAS Name: 4-tert-butylbenzoic acid; 1-(isocyanatomethyl)-4-methoxybenzene IUPAC Name: 4-tert-butylbenzoic acid; 1-(isocyanatomethyl)-4-methoxybenzene Traditional Name: 4-tert-butylbenzoic acid; 1-(isocyanatomethyl)-4-methoxy-benzene Formula: C20H23NO4 MolecularWeight: 341.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)O.COC1=CC=C(C=C1)CN=C=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)O.COC1=CC=C(C=C1)CN=C=O

InChI

InChI=1S/C11H14O2.C9H9NO2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-12-9-4-2-8(3-5-9)6-10-7-11/h4-7H,1-3H3,(H,12,13);2-5H,6H2,1H3