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

Systemtic Name: methyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]ethanoate; 3-phenyloxiran-2-one Openeye Name: methyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]acetate; 3-phenyloxiran-2-one CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]acetic acid methyl ester; 3-phenyl-2-oxiranone IUPAC Name: methyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]acetate; 3-phenyloxiran-2-one Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]acetic acid methyl ester; 3-phenyloxiran-2-one Formula: C26H32N4O5 MolecularWeight: 480.55608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N.C1=CC=C(C=C1)C2C(=O)O2

Isomeric SMILES

COC(=O)CN1CCC(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N.C1=CC=C(C=C1)C2C(=O)O2

InChI

InChI=1S/C18H26N4O3.C8H6O2/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;9-8-7(10-8)6-4-2-1-3-5-6/h3-6,13H,2,7-12H2,1H3,(H3,19,20)(H,21,23);1-5,7H