1-[1,3-bis[2-(4-aminophenyl)carbonyloxypropoxy]propan-2-yloxy]propan-2-yl 4-methylbenzoate

Systemtic Name: 1-[1,3-bis[2-(4-aminophenyl)carbonyloxypropoxy]propan-2-yloxy]propan-2-yl 4-methylbenzoate Openeye Name: [2-[2-[2-(4-aminobenzoyl)oxypropoxy]-1-[2-(4-aminobenzoyl)oxypropoxymethyl]ethoxy]-1-methyl-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid 1-[1,3-bis[2-[(4-aminophenyl)-oxomethoxy]propoxy]propan-2-yloxy]propan-2-yl ester IUPAC Name: 1-[1,3-bis[2-(4-aminobenzoyl)oxypropoxy]propan-2-yloxy]propan-2-yl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[2-[2-(4-aminobenzoyl)oxypropoxy]-1-[2-(4-aminobenzoyl)oxypropoxymethyl]ethoxy]-1-methyl-ethyl] ester Formula: C34H42N2O9 MolecularWeight: 622.70528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C)COC(COCC(C)OC(=O)C2=CC=C(C=C2)N)COCC(C)OC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(C)COC(COCC(C)OC(=O)C2=CC=C(C=C2)N)COCC(C)OC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C34H42N2O9/c1-22-5-7-26(8-6-22)32(37)45-25(4)19-42-31(20-40-17-23(2)43-33(38)27-9-13-29(35)14-10-27)21-41-18-24(3)44-34(39)28-11-15-30(36)16-12-28/h5-16,23-25,31H,17-21,35-36H2,1-4H3