2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanoylamino]-3-naphthalen-1-yl-propanoic acid

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanoylamino]-3-naphthalen-1-yl-propanoic acid Openeye Name: 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-3-(1-naphthyl)propanoic acid CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-(1-naphthalenyl)propanoic acid IUPAC Name: 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-3-naphthalen-1-ylpropanoic acid Traditional Name: 2-[[2-[4-(2-methoxyphenyl)piperazino]acetyl]amino]-3-(1-naphthyl)propionic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC(CC3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC(CC3=CC=CC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C26H29N3O4/c1-33-24-12-5-4-11-23(24)29-15-13-28(14-16-29)18-25(30)27-22(26(31)32)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,22H,13-18H2,1H3,(H,27,30)(H,31,32)