2-(phenylmethoxycarbonylamino)-3-[4-[3-(2-pyrrolidin-1-ylethanoylamino)phenyl]phenyl]propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-[4-[3-(2-pyrrolidin-1-ylethanoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-[4-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]phenyl]propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[4-[3-[(2-pyrrolidinoacetyl)amino]phenyl]phenyl]propionic acid Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O5/c33-27(19-32-15-4-5-16-32)30-25-10-6-9-24(18-25)23-13-11-21(12-14-23)17-26(28(34)35)31-29(36)37-20-22-7-2-1-3-8-22/h1-3,6-14,18,26H,4-5,15-17,19-20H2,(H,30,33)(H,31,36)(H,34,35)