2-[5-chloranyl-2-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-1,3-benzoxazol-7-yl]ethanal

Systemtic Name: 2-[5-chloranyl-2-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-1,3-benzoxazol-7-yl]ethanal Openeye Name: 2-[5-chloro-2-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-1,3-benzoxazol-7-yl]acetaldehyde CAS Name: 2-[5-chloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1,3-benzoxazol-7-yl]acetaldehyde IUPAC Name: 2-[5-chloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1,3-benzoxazol-7-yl]acetaldehyde Traditional Name: 2-[5-chloro-2-[3-(cyclopentoxy)-4-methoxy-benzyl]-1,3-benzoxazol-7-yl]acetaldehyde Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C(=CC(=C3)Cl)CC=O)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C(=CC(=C3)Cl)CC=O)OC4CCCC4

InChI

InChI=1S/C22H22ClNO4/c1-26-19-7-6-14(10-20(19)27-17-4-2-3-5-17)11-21-24-18-13-16(23)12-15(8-9-25)22(18)28-21/h6-7,9-10,12-13,17H,2-5,8,11H2,1H3