(3S)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[2-[[(2R)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-2-keto-ethyl]nipecotamide Formula: C20H29N3O4 MolecularWeight: 375.46196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CN3CCCC(C3)C(=O)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@H](O2)C)CNC(=O)CN3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C20H29N3O4/c1-3-26-17-8-15-7-13(2)27-18(15)9-16(17)10-22-19(24)12-23-6-4-5-14(11-23)20(21)25/h8-9,13-14H,3-7,10-12H2,1-2H3,(H2,21,25)(H,22,24)/t13-,14+/m1/s1