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

Systemtic Name: ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-2-methyl-3-oxidanylidene-propyl]piperidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-2-methyl-3-oxo-propyl]-1-piperidyl]acetate CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-2-methyl-3-oxopropyl]-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-2-methyl-3-oxopropyl]piperidin-1-yl]acetate Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-2-methyl-propyl]piperidino]acetic acid ethyl ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(CC1)CC(C)C(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CN1CCC(CC1)CC(C)C(=O)NC2=CC=C(C=C2)C(=N)N

InChI

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