(E)-5-[(3S)-2-oxidanylidene-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]pent-4-enoic acid

Systemtic Name: (E)-5-[(3S)-2-oxidanylidene-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]pent-4-enoic acid Openeye Name: (E)-5-[(3S)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]pent-4-enoic acid CAS Name: (E)-5-[(3S)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-pyrrolidinyl]-4-pentenoic acid IUPAC Name: (E)-5-[(3S)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]pent-4-enoic acid Traditional Name: (E)-5-[(3S)-2-keto-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidino]pent-4-enoic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CCCC3CCN(C3=O)C=CCCC(=O)O

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CCC[C@H]3CCN(C3=O)/C=C/CCC(=O)O

InChI

InChI=1S/C20H27N3O3/c24-18(25)8-1-2-13-23-14-11-16(20(23)26)5-3-7-17-10-9-15-6-4-12-21-19(15)22-17/h2,9-10,13,16H,1,3-8,11-12,14H2,(H,21,22)(H,24,25)/b13-2+/t16-/m0/s1