phenethyl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate Openeye Name: phenethyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetic acid phenethyl ester Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)OCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)OCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H31N3O3/c30-28(31)25-10-6-23(7-11-25)24-8-12-26(13-9-24)29(34)32-17-14-22(15-18-32)20-27(33)35-19-16-21-4-2-1-3-5-21/h1-13,22H,14-20H2,(H3,30,31)