[4-(4-methoxy-3,5-dimethyl-phenyl)-1-(4-oxidanylidenebutyl)piperidin-4-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: [4-(4-methoxy-3,5-dimethyl-phenyl)-1-(4-oxidanylidenebutyl)piperidin-4-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: [4-(4-methoxy-3,5-dimethyl-phenyl)-1-(4-oxobutyl)-4-piperidyl] 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid [4-(4-methoxy-3,5-dimethylphenyl)-1-(4-oxobutyl)-4-piperidinyl] ester IUPAC Name: [4-(4-methoxy-3,5-dimethylphenyl)-1-(4-oxobutyl)piperidin-4-yl] 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 4-amino-5-chloro-coumaran-7-carboxylic acid [1-(4-ketobutyl)-4-(4-methoxy-3,5-dimethyl-phenyl)-4-piperidyl] ester Formula: C27H33ClN2O5 MolecularWeight: 501.01432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C2(CCN(CC2)CCCC=O)OC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C2(CCN(CC2)CCCC=O)OC(=O)C3=CC(=C(C4=C3OCC4)N)Cl

InChI

InChI=1S/C27H33ClN2O5/c1-17-14-19(15-18(2)24(17)33-3)27(7-10-30(11-8-27)9-4-5-12-31)35-26(32)21-16-22(28)23(29)20-6-13-34-25(20)21/h12,14-16H,4-11,13,29H2,1-3H3