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

Systemtic Name: 3-heptyloxiran-2-one; propan-2-yl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]ethanoate Openeye Name: 3-heptyloxiran-2-one; isopropyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]acetate CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]acetic acid propan-2-yl ester; 3-heptyl-2-oxiranone IUPAC Name: 3-heptyloxiran-2-one; propan-2-yl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]acetate Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]acetic acid isopropyl ester; 3-heptyloxiran-2-one Formula: C29H46N4O5 MolecularWeight: 530.69934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3.C9H16O2/c1-14(2)27-19(26)13-24-11-9-15(10-12-24)3-8-18(25)23-17-6-4-16(5-7-17)20(21)22;1-2-3-4-5-6-7-8-9(10)11-8/h4-7,14-15H,3,8-13H2,1-2H3,(H3,21,22)(H,23,25);8H,2-7H2,1H3