[4-azanyl-4-oxidanylidene-3-(phenylazanylmethyl)butyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: [4-azanyl-4-oxidanylidene-3-(phenylazanylmethyl)butyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: [4-amino-3-(anilinomethyl)-4-oxo-butyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid [4-amino-3-(anilinomethyl)-4-oxobutyl] ester IUPAC Name: [4-amino-3-(anilinomethyl)-4-oxobutyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid [4-amino-3-(anilinomethyl)-4-keto-butyl] ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)C(=O)OCCC(CNC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CNC(C2=CC=CC=C21)C(=O)OCCC(CNC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H25N3O3/c22-20(25)16(14-24-17-7-2-1-3-8-17)11-13-27-21(26)19-18-9-5-4-6-15(18)10-12-23-19/h1-9,16,19,23-24H,10-14H2,(H2,22,25)