ethyl 1-[[3-[[2-azanyl-4-(furan-3-yl)phenyl]amino]phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-[[2-azanyl-4-(furan-3-yl)phenyl]amino]phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-[2-amino-4-(3-furyl)anilino]phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[2-amino-4-(3-furanyl)anilino]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[2-amino-4-(furan-3-yl)anilino]phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[3-[2-amino-4-(3-furyl)anilino]benzyl]isonipecotic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)C4=COC=C4)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)C4=COC=C4)N

InChI

InChI=1S/C25H29N3O3/c1-2-31-25(29)19-8-11-28(12-9-19)16-18-4-3-5-22(14-18)27-24-7-6-20(15-23(24)26)21-10-13-30-17-21/h3-7,10,13-15,17,19,27H,2,8-9,11-12,16,26H2,1H3