methyl (2S)-2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[4-(4-hydroxyphenyl)piperazino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H27N3O4/c1-29-22(28)20(15-17-5-3-2-4-6-17)23-21(27)16-24-11-13-25(14-12-24)18-7-9-19(26)10-8-18/h2-10,20,26H,11-16H2,1H3,(H,23,27)/t20-/m0/s1