N-butyl-3-cyano-2-methoxy-N-methyl-naphthalene-1-carboxamide; 2-oxidanyl-2-(2-oxidanylidene-2-piperidin-1-yloxy-ethyl)butanedioic acid

Systemtic Name: N-butyl-3-cyano-2-methoxy-N-methyl-naphthalene-1-carboxamide; 2-oxidanyl-2-(2-oxidanylidene-2-piperidin-1-yloxy-ethyl)butanedioic acid Openeye Name: N-butyl-3-cyano-2-methoxy-N-methyl-naphthalene-1-carboxamide; 2-hydroxy-2-[2-oxo-2-(1-piperidyloxy)ethyl]butanedioic acid CAS Name: N-butyl-3-cyano-2-methoxy-N-methyl-1-naphthalenecarboxamide; 2-hydroxy-2-[2-oxo-2-(1-piperidinyloxy)ethyl]butanedioic acid IUPAC Name: N-butyl-3-cyano-2-methoxy-N-methylnaphthalene-1-carboxamide; 2-hydroxy-2-(2-oxo-2-piperidin-1-yloxyethyl)butanedioic acid Traditional Name: N-butyl-3-cyano-2-methoxy-N-methyl-1-naphthamide; 2-hydroxy-2-(2-keto-2-piperidinooxy-ethyl)succinic acid Formula: C29H37N3O9 MolecularWeight: 571.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=C(C(=CC2=CC=CC=C21)C#N)OC.C1CCN(CC1)OC(=O)CC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCN(C)C(=O)C1=C(C(=CC2=CC=CC=C21)C#N)OC.C1CCN(CC1)OC(=O)CC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H20N2O2.C11H17NO7/c1-4-5-10-20(2)18(21)16-15-9-7-6-8-13(15)11-14(12-19)17(16)22-3;13-8(14)6-11(18,10(16)17)7-9(15)19-12-4-2-1-3-5-12/h6-9,11H,4-5,10H2,1-3H3;18H,1-7H2,(H,13,14)(H,16,17)