2-[2-[(4-bromophenyl)carbonylamino]-3-(ethoxymethoxy)propyl]pent-4-ynoic acid

Systemtic Name: 2-[2-[(4-bromophenyl)carbonylamino]-3-(ethoxymethoxy)propyl]pent-4-ynoic acid Openeye Name: 2-[2-[(4-bromobenzoyl)amino]-3-(ethoxymethoxy)propyl]pent-4-ynoic acid CAS Name: 2-[2-[[(4-bromophenyl)-oxomethyl]amino]-3-(ethoxymethoxy)propyl]-4-pentynoic acid IUPAC Name: 2-[2-[(4-bromobenzoyl)amino]-3-(ethoxymethoxy)propyl]pent-4-ynoic acid Traditional Name: 2-[2-[(4-bromobenzoyl)amino]-3-(ethoxymethoxy)propyl]pent-4-ynoic acid Formula: C18H22BrNO5 MolecularWeight: 412.27498

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Descriptors Computed from Structure

Canonical SMILES:

CCOCOCC(CC(CC#C)C(=O)O)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCOCOCC(CC(CC#C)C(=O)O)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C18H22BrNO5/c1-3-5-14(18(22)23)10-16(11-25-12-24-4-2)20-17(21)13-6-8-15(19)9-7-13/h1,6-9,14,16H,4-5,10-12H2,2H3,(H,20,21)(H,22,23)