benzaldehyde; ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethanoate

Systemtic Name: benzaldehyde; ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethanoate Openeye Name: benzaldehyde; ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]piperazin-1-yl]acetate CAS Name: benzaldehyde; 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: benzaldehyde; ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperazino]acetic acid ethyl ester; benzaldehyde Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N.C1=CC=C(C=C1)C=O

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N.C1=CC=C(C=C1)C=O

InChI

InChI=1S/C18H27N5O3.C7H6O/c1-2-26-17(25)13-23-11-9-22(10-12-23)8-7-16(24)21-15-5-3-14(4-6-15)18(19)20;8-6-7-4-2-1-3-5-7/h3-6H,2,7-13H2,1H3,(H3,19,20)(H,21,24);1-6H