ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]ethanoate; oxiran-2-one

Systemtic Name: ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]ethanoate; oxiran-2-one Openeye Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]acetate; oxiran-2-one CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]acetic acid ethyl ester; 2-oxiranone IUPAC Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]acetate; oxiran-2-one Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]acetic acid ethyl ester; oxiran-2-one Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N.C1C(=O)O1

Isomeric SMILES

CCOC(=O)CN1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N.C1C(=O)O1

InChI

InChI=1S/C19H28N4O3.C2H2O2/c1-2-26-18(25)13-23-11-9-14(10-12-23)3-8-17(24)22-16-6-4-15(5-7-16)19(20)21;3-2-1-4-2/h4-7,14H,2-3,8-13H2,1H3,(H3,20,21)(H,22,24);1H2