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

Systemtic Name: ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]ethanoate; 3-tridecyloxiran-2-one Openeye Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]acetate; 3-tridecyloxiran-2-one CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]acetic acid ethyl ester; 3-tridecyl-2-oxiranone IUPAC Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]acetate; 3-tridecyloxiran-2-one Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]acetic acid ethyl ester; 3-tridecyloxiran-2-one Formula: C34H56N4O5 MolecularWeight: 600.83224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(=O)O1.CCOC(=O)CN1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCCCCCCCCCCC1C(=O)O1.CCOC(=O)CN1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H28N4O3.C15H28O2/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-14/h4-7,14H,2-3,8-13H2,1H3,(H3,20,21)(H,22,24);14H,2-13H2,1H3