[oxidanyl(propyl)carbamoyl] 3-(3-dodec-1-ynylphenyl)benzoate

Systemtic Name: [oxidanyl(propyl)carbamoyl] 3-(3-dodec-1-ynylphenyl)benzoate Openeye Name: [hydroxy(propyl)carbamoyl] 3-(3-dodec-1-ynylphenyl)benzoate CAS Name: 3-(3-dodec-1-ynylphenyl)benzoic acid [[hydroxy(propyl)amino]-oxomethyl] ester IUPAC Name: [hydroxy(propyl)carbamoyl] 3-(3-dodec-1-ynylphenyl)benzoate Traditional Name: 3-(3-dodec-1-ynylphenyl)benzoic acid [hydroxy(propyl)carbamoyl] ester Formula: C29H37NO4 MolecularWeight: 463.60838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC(=CC=C1)C2=CC(=CC=C2)C(=O)OC(=O)N(CCC)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CC(=CC=C1)C2=CC(=CC=C2)C(=O)OC(=O)N(CCC)O

InChI

InChI=1S/C29H37NO4/c1-3-5-6-7-8-9-10-11-12-13-16-24-17-14-18-25(22-24)26-19-15-20-27(23-26)28(31)34-29(32)30(33)21-4-2/h14-15,17-20,22-23,33H,3-12,21H2,1-2H3