4-[4-(1,3-benzodioxol-5-ylamino)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylamino)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Openeye Name: 4-[4-(1,3-benzodioxol-5-ylamino)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butanoic acid CAS Name: 4-[4-(1,3-benzodioxol-5-ylamino)-2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]butanoic acid IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylamino)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Traditional Name: 4-[4-(1,3-benzodioxol-5-ylamino)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butyric acid Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)NC4=CC5=C(C=C4)OCO5)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)NC4=CC5=C(C=C4)OCO5)CCCC(=O)O

InChI

InChI=1S/C30H28N2O5/c1-19(24-10-4-7-20-6-2-3-9-25(20)24)31-30(35)26-16-22(13-12-21(26)8-5-11-29(33)34)32-23-14-15-27-28(17-23)37-18-36-27/h2-4,6-7,9-10,12-17,19,32H,5,8,11,18H2,1H3,(H,31,35)(H,33,34)