tert-butyl 7-[(2-methoxyphenyl)methylamino]-3,8,11-triazaspiro[5.5]undec-7-ene-3-carboxylate

Systemtic Name: tert-butyl 7-[(2-methoxyphenyl)methylamino]-3,8,11-triazaspiro[5.5]undec-7-ene-3-carboxylate Openeye Name: tert-butyl 7-[(2-methoxyphenyl)methylamino]-3,8,11-triazaspiro[5.5]undec-7-ene-3-carboxylate CAS Name: 7-[(2-methoxyphenyl)methylamino]-3,8,11-triazaspiro[5.5]undec-7-ene-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(2-methoxyphenyl)methylamino]-3,8,11-triazaspiro[5.5]undec-7-ene-3-carboxylate Traditional Name: 7-(o-anisylamino)-3,8,11-triazaspiro[5.5]undec-7-ene-3-carboxylic acid tert-butyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)C(=NCCN2)NCC3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)C(=NCCN2)NCC3=CC=CC=C3OC

InChI

InChI=1S/C21H32N4O3/c1-20(2,3)28-19(26)25-13-9-21(10-14-25)18(22-11-12-24-21)23-15-16-7-5-6-8-17(16)27-4/h5-8,24H,9-15H2,1-4H3,(H,22,23)