(phenylmethyl) 6-[5-(aminomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[5-(aminomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 6-[5-(aminomethyl)-2-oxo-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[5-(aminomethyl)-2-oxo-3-oxazolidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[5-(aminomethyl)-2-keto-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)N3CC(OC3=O)CN)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)N3CC(OC3=O)CN)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4/c22-11-19-13-24(21(26)28-19)18-7-6-17-12-23(9-8-16(17)10-18)20(25)27-14-15-4-2-1-3-5-15/h1-7,10,19H,8-9,11-14,22H2