ethyl 2-[2-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: ethyl 2-[2-amino-7-[4-[(E)-1-piperidyliminomethyl]benzoyl]chroman-3-yl]acetate CAS Name: 2-[2-amino-7-[oxo-[4-[(E)-1-piperidinyliminomethyl]phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-7-[4-[(E)-piperidin-1-yliminomethyl]benzoyl]-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[2-amino-7-[4-[(E)-piperidinoiminomethyl]benzoyl]chroman-3-yl]acetic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)C=NN4CCCCC4)OC1N

Isomeric SMILES

CCOC(=O)CC1CC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)/C=N/N4CCCCC4)OC1N

InChI

InChI=1S/C26H31N3O4/c1-2-32-24(30)16-22-14-20-10-11-21(15-23(20)33-26(22)27)25(31)19-8-6-18(7-9-19)17-28-29-12-4-3-5-13-29/h6-11,15,17,22,26H,2-5,12-14,16,27H2,1H3/b28-17+