2-[2-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]carbamoyl]phenyl]benzoate

Systemtic Name: 2-[2-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]carbamoyl]phenyl]benzoate Openeye Name: 2-[2-[[4-[2-(diethylammonio)ethylcarbamoyl]phenyl]carbamoyl]phenyl]benzoate CAS Name: 2-[2-[[4-[[2-(diethylammonio)ethylamino]-oxomethyl]anilino]-oxomethyl]phenyl]benzoate IUPAC Name: 2-[2-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[[4-[2-(diethylammonio)ethylcarbamoyl]phenyl]carbamoyl]phenyl]benzoate Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C27H29N3O4/c1-3-30(4-2)18-17-28-25(31)19-13-15-20(16-14-19)29-26(32)23-11-7-5-9-21(23)22-10-6-8-12-24(22)27(33)34/h5-16H,3-4,17-18H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)