N-[2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-yl]ethyl]carbamate hydrate

Systemtic Name: N-[2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-yl]ethyl]carbamate hydrate Openeye Name: N-[2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-1-piperidyl]ethyl]carbamate hydrate CAS Name: N-[2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-3-methoxy-1-piperidinyl]ethyl]carbamate hydrate IUPAC Name: N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate hydrate Traditional Name: N-[2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-piperidino]ethyl]carbamate hydrate Formula: C17H26ClN4O6- MolecularWeight: 417.86454

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCNC(=O)[O-].O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCNC(=O)[O-].O

InChI

InChI=1S/C17H25ClN4O5.H2O/c1-26-14-8-12(19)11(18)7-10(14)16(23)21-13-3-5-22(9-15(13)27-2)6-4-20-17(24)25;/h7-8,13,15,20H,3-6,9,19H2,1-2H3,(H,21,23)(H,24,25);1H2/p-1