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

Systemtic Name: butyl 2-[2-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-2H-chromen-3-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O4/c1-2-3-15-34-26(32)18-24-16-22-11-12-23(17-25(22)35-28(24)29)27(33)21-9-7-20(8-10-21)19-30-31-13-5-4-6-14-31/h7-12,17,19,24,28H,2-6,13-16,18,29H2,1H3/b30-19+