2-[[2-[(1-ethoxy-1-oxidanylidene-heptan-2-yl)amino]-3-phenyl-propanoyl]-(4-propan-2-ylphenyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[(1-ethoxy-1-oxidanylidene-heptan-2-yl)amino]-3-phenyl-propanoyl]-(4-propan-2-ylphenyl)amino]ethanoic acid Openeye Name: 2-(N-[2-(1-ethoxycarbonylhexylamino)-3-phenyl-propanoyl]-4-isopropyl-anilino)acetic acid CAS Name: 2-(N-[2-[(1-ethoxy-1-oxoheptan-2-yl)amino]-1-oxo-3-phenylpropyl]-4-propan-2-ylanilino)acetic acid IUPAC Name: 2-(N-[2-[(1-ethoxy-1-oxoheptan-2-yl)amino]-3-phenylpropanoyl]-4-propan-2-ylanilino)acetic acid Traditional Name: 2-(N-[2-(1-carbethoxyhexylamino)-3-phenyl-propanoyl]-4-isopropyl-anilino)acetic acid Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)OCC)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCC(C(=O)OCC)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C29H40N2O5/c1-5-7-9-14-25(29(35)36-6-2)30-26(19-22-12-10-8-11-13-22)28(34)31(20-27(32)33)24-17-15-23(16-18-24)21(3)4/h8,10-13,15-18,21,25-26,30H,5-7,9,14,19-20H2,1-4H3,(H,32,33)