ethyl 3-[[4-(diphenylmethyl)piperazin-1-yl]carbonyl-(3-methylbutyl)carbamoyl]oxirane-2-carboxylate

Systemtic Name: ethyl 3-[[4-(diphenylmethyl)piperazin-1-yl]carbonyl-(3-methylbutyl)carbamoyl]oxirane-2-carboxylate Openeye Name: ethyl 3-[(4-benzhydrylpiperazine-1-carbonyl)-isopentyl-carbamoyl]oxirane-2-carboxylate CAS Name: 3-[[[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzhydrylpiperazine-1-carbonyl)-(3-methylbutyl)carbamoyl]oxirane-2-carboxylate Traditional Name: 3-[(4-benzhydrylpiperazine-1-carbonyl)-isoamyl-carbamoyl]oxirane-2-carboxylic acid ethyl ester Formula: C29H37N3O5 MolecularWeight: 507.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)N(CCC(C)C)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(O1)C(=O)N(CCC(C)C)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H37N3O5/c1-4-36-28(34)26-25(37-26)27(33)32(16-15-21(2)3)29(35)31-19-17-30(18-20-31)24(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,21,24-26H,4,15-20H2,1-3H3