2-[1-(2-hydroxyethyl)-6-[[4-[(E)-morpholin-4-yliminomethyl]phenyl]carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: 2-[1-(2-hydroxyethyl)-6-[[4-[(E)-morpholin-4-yliminomethyl]phenyl]carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: 2-[1-(2-hydroxyethyl)-6-[[4-[(E)-morpholinoiminomethyl]benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[1-(2-hydroxyethyl)-6-[[[4-[(E)-4-morpholinyliminomethyl]phenyl]-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate IUPAC Name: 2-[1-(2-hydroxyethyl)-6-[[4-[(E)-morpholin-4-yliminomethyl]benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[1-(2-hydroxyethyl)-6-[[4-[(E)-morpholinoiminomethyl]benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Formula: C25H29N4O5- MolecularWeight: 465.52156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C=NN4CCOCC4)CCO)CC(=O)[O-]

Isomeric SMILES

C1CN(C(C2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)/C=N/N4CCOCC4)CCO)CC(=O)[O-]

InChI

InChI=1S/C25H30N4O5/c30-12-8-23-22-6-5-21(15-20(22)7-9-28(23)17-24(31)32)27-25(33)19-3-1-18(2-4-19)16-26-29-10-13-34-14-11-29/h1-6,15-16,23,30H,7-14,17H2,(H,27,33)(H,31,32)/p-1/b26-16+