3-phenylpropyl 5-oxidanylidene-5-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]amino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]amino]pentanoate Openeye Name: 3-phenylpropyl 5-[2-[(4-anilinophenyl)carbamoyl]anilino]-5-oxo-pentanoate CAS Name: 5-[2-[(4-anilinoanilino)-oxomethyl]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-[(4-anilinophenyl)carbamoyl]anilino]-5-oxopentanoate Traditional Name: 5-[2-[(4-anilinophenyl)carbamoyl]anilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C33H33N3O4 MolecularWeight: 535.63282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C33H33N3O4/c37-31(18-9-19-32(38)40-24-10-13-25-11-3-1-4-12-25)36-30-17-8-7-16-29(30)33(39)35-28-22-20-27(21-23-28)34-26-14-5-2-6-15-26/h1-8,11-12,14-17,20-23,34H,9-10,13,18-19,24H2,(H,35,39)(H,36,37)