ethyl 7-[3-(4-tert-butyl-2-chloranyl-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylate

Systemtic Name: ethyl 7-[3-(4-tert-butyl-2-chloranyl-phenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylate Openeye Name: ethyl 7-[3-(4-tert-butyl-2-chloro-phenoxy)propoxy]chromane-2-carboxylate CAS Name: 7-[3-(4-tert-butyl-2-chlorophenoxy)propoxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-(4-tert-butyl-2-chlorophenoxy)propoxy]-3,4-dihydro-2H-chromene-2-carboxylate Traditional Name: 7-[3-(4-tert-butyl-2-chloro-phenoxy)propoxy]chroman-2-carboxylic acid ethyl ester Formula: C25H31ClO5 MolecularWeight: 446.96364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CCOC(=O)C1CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C25H31ClO5/c1-5-28-24(27)22-11-8-17-7-10-19(16-23(17)31-22)29-13-6-14-30-21-12-9-18(15-20(21)26)25(2,3)4/h7,9-10,12,15-16,22H,5-6,8,11,13-14H2,1-4H3