ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanylidene-piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanylidene-piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-3,3-dimethyl-2-oxo-piperazin-1-yl]acetate CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-3,3-dimethyl-2-oxo-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetate Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]-2-keto-3,3-dimethyl-piperazino]acetic acid ethyl ester Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1=O)(C)C)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CN1CCN(C(C1=O)(C)C)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H29N5O4/c1-4-29-17(27)13-24-11-12-25(20(2,3)19(24)28)10-9-16(26)23-15-7-5-14(6-8-15)18(21)22/h5-8H,4,9-13H2,1-3H3,(H3,21,22)(H,23,26)