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

Systemtic Name: 3-heptyloxiran-2-one; methyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]ethanoate Openeye Name: 3-heptyloxiran-2-one; methyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]acetate CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]acetic acid methyl ester; 3-heptyl-2-oxiranone IUPAC Name: 3-heptyloxiran-2-one; methyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]acetate Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]acetic acid methyl ester; 3-heptyloxiran-2-one Formula: C27H42N4O5 MolecularWeight: 502.64618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(=O)O1.COC(=O)CN1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCCCCC1C(=O)O1.COC(=O)CN1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H26N4O3.C9H16O2/c1-25-17(24)12-22-10-8-13(9-11-22)2-7-16(23)21-15-5-3-14(4-6-15)18(19)20;1-2-3-4-5-6-7-8-9(10)11-8/h3-6,13H,2,7-12H2,1H3,(H3,19,20)(H,21,23);8H,2-7H2,1H3