methyl 2-[2-azanyl-6-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[2-azanyl-6-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: methyl 2-[2-amino-6-[4-[(E)-1-piperidyliminomethyl]benzoyl]chroman-3-yl]acetate CAS Name: 2-[2-amino-6-[oxo-[4-[(E)-1-piperidinyliminomethyl]phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-amino-6-[4-[(E)-piperidin-1-yliminomethyl]benzoyl]-3,4-dihydro-2H-chromen-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[(E)-piperidinoiminomethyl]benzoyl]chroman-3-yl]acetic acid methyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4/c1-31-23(29)15-21-14-20-13-19(9-10-22(20)32-25(21)26)24(30)18-7-5-17(6-8-18)16-27-28-11-3-2-4-12-28/h5-10,13,16,21,25H,2-4,11-12,14-15,26H2,1H3/b27-16+