(phenylmethyl) 2-[3,4-bis(azanyl)-2-(4-propan-2-ylphenyl)carbonyl-phenoxy]ethanoate

Systemtic Name: (phenylmethyl) 2-[3,4-bis(azanyl)-2-(4-propan-2-ylphenyl)carbonyl-phenoxy]ethanoate Openeye Name: benzyl 2-[3,4-diamino-2-(4-isopropylbenzoyl)phenoxy]acetate CAS Name: 2-[3,4-diamino-2-[oxo-(4-propan-2-ylphenyl)methyl]phenoxy]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3,4-diamino-2-(4-propan-2-ylbenzoyl)phenoxy]acetate Traditional Name: 2-(3,4-diamino-2-cumoyl-phenoxy)acetic acid benzyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2N)N)OCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2N)N)OCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4/c1-16(2)18-8-10-19(11-9-18)25(29)23-21(13-12-20(26)24(23)27)30-15-22(28)31-14-17-6-4-3-5-7-17/h3-13,16H,14-15,26-27H2,1-2H3