4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate; ethanedioate; piperidine; 1-(3,4,5-trimethoxyphenyl)butan-1-one

Systemtic Name: 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate; ethanedioate; piperidine; 1-(3,4,5-trimethoxyphenyl)butan-1-one Openeye Name: 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylate; oxalate; piperidine; 1-(3,4,5-trimethoxyphenyl)butan-1-one CAS Name: 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylate; oxalate; piperidine; 1-(3,4,5-trimethoxyphenyl)-1-butanone IUPAC Name: 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate; oxalate; piperidine; 1-(3,4,5-trimethoxyphenyl)butan-1-one Traditional Name: 4-amino-5-chloro-coumaran-7-carboxylate; oxalate; piperidine; 1-(3,4,5-trimethoxyphenyl)butan-1-one Formula: C29H36ClN2O11-3 MolecularWeight: 624.05594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C1CCNCC1.C1COC2=C1C(=C(C=C2C(=O)[O-])Cl)N.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C1CCNCC1.C1COC2=C1C(=C(C=C2C(=O)[O-])Cl)N.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C13H18O4.C9H8ClNO3.C5H11N.C2H2O4/c1-5-6-10(14)9-7-11(15-2)13(17-4)12(8-9)16-3;10-6-3-5(9(12)13)8-4(7(6)11)1-2-14-8;1-2-4-6-5-3-1;3-1(4)2(5)6/h7-8H,5-6H2,1-4H3;3H,1-2,11H2,(H,12,13);6H,1-5H2;(H,3,4)(H,5,6)/p-3