3-[4-[(4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]-3-methoxy-piperidin-1-yl]propylcarbamic acid

Systemtic Name: 3-[4-[(4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]-3-methoxy-piperidin-1-yl]propylcarbamic acid Openeye Name: 3-[4-[(4-amino-5-chloro-2,3-dihydrobenzofuran-7-carbonyl)amino]-3-methoxy-1-piperidyl]propylcarbamic acid CAS Name: 3-[4-[[(4-amino-5-chloro-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]-3-methoxy-1-piperidinyl]propylcarbamic acid IUPAC Name: 3-[4-[(4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-3-methoxypiperidin-1-yl]propylcarbamic acid Traditional Name: 3-[4-[(4-amino-5-chloro-coumaran-7-carbonyl)amino]-3-methoxy-piperidino]propylcarbamic acid Formula: C19H27ClN4O5 MolecularWeight: 426.89448

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)CCCNC(=O)O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl)CCCNC(=O)O

InChI

InChI=1S/C19H27ClN4O5/c1-28-15-10-24(6-2-5-22-19(26)27)7-3-14(15)23-18(25)12-9-13(20)16(21)11-4-8-29-17(11)12/h9,14-15,22H,2-8,10,21H2,1H3,(H,23,25)(H,26,27)