ethyl 4-[[3,4-bis(oxidanylidene)-2-(3-phenylpropylamino)cyclobuten-1-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3,4-bis(oxidanylidene)-2-(3-phenylpropylamino)cyclobuten-1-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3,4-dioxo-2-(3-phenylpropylamino)cyclobuten-1-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[3,4-dioxo-2-(3-phenylpropylamino)-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3,4-dioxo-2-(3-phenylpropylamino)cyclobuten-1-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3,4-diketo-2-(3-phenylpropylamino)cyclobuten-1-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4/c1-2-28-21(27)24-13-10-16(11-14-24)23-18-17(19(25)20(18)26)22-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,16,22-23H,2,6,9-14H2,1H3