methyl 2-[5-[[2-acetamido-3-(4-azanylnaphthalen-1-yl)propanoyl]amino]pentoxy]-4-methyl-6-oxidanyl-benzoate

Systemtic Name: methyl 2-[5-[[2-acetamido-3-(4-azanylnaphthalen-1-yl)propanoyl]amino]pentoxy]-4-methyl-6-oxidanyl-benzoate Openeye Name: methyl 2-[5-[[2-acetamido-3-(4-amino-1-naphthyl)propanoyl]amino]pentoxy]-6-hydroxy-4-methyl-benzoate CAS Name: 2-[5-[[2-acetamido-3-(4-amino-1-naphthalenyl)-1-oxopropyl]amino]pentoxy]-6-hydroxy-4-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[5-[[2-acetamido-3-(4-aminonaphthalen-1-yl)propanoyl]amino]pentoxy]-6-hydroxy-4-methylbenzoate Traditional Name: 2-[5-[[2-acetamido-3-(4-amino-1-naphthyl)propanoyl]amino]pentoxy]-6-hydroxy-4-methyl-benzoic acid methyl ester Formula: C29H35N3O6 MolecularWeight: 521.6047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCCCNC(=O)C(CC2=CC=C(C3=CC=CC=C23)N)NC(=O)C)C(=O)OC)O

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCCCNC(=O)C(CC2=CC=C(C3=CC=CC=C23)N)NC(=O)C)C(=O)OC)O

InChI

InChI=1S/C29H35N3O6/c1-18-15-25(34)27(29(36)37-3)26(16-18)38-14-8-4-7-13-31-28(35)24(32-19(2)33)17-20-11-12-23(30)22-10-6-5-9-21(20)22/h5-6,9-12,15-16,24,34H,4,7-8,13-14,17,30H2,1-3H3,(H,31,35)(H,32,33)