2-[4-[2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoyl]piperazin-1-yl]ethyl pyrrolidine-2-carboxylate

Systemtic Name: 2-[4-[2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoyl]piperazin-1-yl]ethyl pyrrolidine-2-carboxylate Openeye Name: 2-[4-[2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoyl]piperazin-1-yl]ethyl pyrrolidine-2-carboxylate CAS Name: 2-pyrrolidinecarboxylic acid 2-[4-[2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[2-[3-(4-hydroxyphenyl)propanoylamino]-3-methylpentanoyl]piperazin-1-yl]ethyl pyrrolidine-2-carboxylate Traditional Name: pyrrolidine-2-carboxylic acid 2-[4-[2-[3-(4-hydroxyphenyl)propanoylamino]-3-methyl-pentanoyl]piperazino]ethyl ester Formula: C26H40N4O5 MolecularWeight: 488.6196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)CCOC(=O)C2CCCN2)NC(=O)CCC3=CC=C(C=C3)O

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)CCOC(=O)C2CCCN2)NC(=O)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C26H40N4O5/c1-3-19(2)24(28-23(32)11-8-20-6-9-21(31)10-7-20)25(33)30-15-13-29(14-16-30)17-18-35-26(34)22-5-4-12-27-22/h6-7,9-10,19,22,24,27,31H,3-5,8,11-18H2,1-2H3,(H,28,32)