4-[[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-chloro-5-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-chloro-5-methoxy-4-(2-pyrrolidinoethoxy)benzyl]amino]-4-keto-butyric acid Formula: C18H25ClN2O5 MolecularWeight: 384.8545

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCCN2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Cl)OCCN2CCCC2

InChI

InChI=1S/C18H25ClN2O5/c1-25-15-11-13(12-20-16(22)4-5-17(23)24)10-14(19)18(15)26-9-8-21-6-2-3-7-21/h10-11H,2-9,12H2,1H3,(H,20,22)(H,23,24)