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

Systemtic Name: cyclohexyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]ethanoate; 3-pentyloxiran-2-one Openeye Name: cyclohexyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]acetate; 3-pentyloxiran-2-one CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]acetic acid cyclohexyl ester; 3-pentyl-2-oxiranone IUPAC Name: cyclohexyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]acetate; 3-pentyloxiran-2-one Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]acetic acid cyclohexyl ester; 3-amyloxiran-2-one Formula: C30H46N4O5 MolecularWeight: 542.71004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=O)O1.C1CCC(CC1)OC(=O)CN2CCC(CC2)CCC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCCC1C(=O)O1.C1CCC(CC1)OC(=O)CN2CCC(CC2)CCC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H34N4O3.C7H12O2/c24-23(25)18-7-9-19(10-8-18)26-21(28)11-6-17-12-14-27(15-13-17)16-22(29)30-20-4-2-1-3-5-20;1-2-3-4-5-6-7(8)9-6/h7-10,17,20H,1-6,11-16H2,(H3,24,25)(H,26,28);6H,2-5H2,1H3