2-[2-ethyl-7-[[4-[(E)-morpholin-4-yliminomethyl]phenyl]carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid

Systemtic Name: 2-[2-ethyl-7-[[4-[(E)-morpholin-4-yliminomethyl]phenyl]carbamoyl]-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[2-ethyl-7-[[4-[(E)-morpholinoiminomethyl]phenyl]carbamoyl]chroman-3-yl]acetic acid CAS Name: 2-[2-ethyl-7-[[4-[(E)-4-morpholinyliminomethyl]anilino]-oxomethyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[2-ethyl-7-[[4-[(E)-morpholin-4-yliminomethyl]phenyl]carbamoyl]-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[2-ethyl-7-[[4-[(E)-morpholinoiminomethyl]phenyl]carbamoyl]chroman-3-yl]acetic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C=NN4CCOCC4)CC(=O)O

Isomeric SMILES

CCC1C(CC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)/C=N/N4CCOCC4)CC(=O)O

InChI

InChI=1S/C25H29N3O5/c1-2-22-20(15-24(29)30)13-18-5-6-19(14-23(18)33-22)25(31)27-21-7-3-17(4-8-21)16-26-28-9-11-32-12-10-28/h3-8,14,16,20,22H,2,9-13,15H2,1H3,(H,27,31)(H,29,30)/b26-16+