2-phenylethanoic acid; phenylmethanamine; 4-propoxybenzaldehyde

Systemtic Name: 2-phenylethanoic acid; phenylmethanamine; 4-propoxybenzaldehyde Openeye Name: 2-phenylacetic acid; phenylmethanamine; 4-propoxybenzaldehyde CAS Name: 2-phenylacetic acid; phenylmethanamine; 4-propoxybenzaldehyde IUPAC Name: 2-phenylacetic acid; phenylmethanamine; 4-propoxybenzaldehyde Traditional Name: benzylamine; 2-phenylacetic acid; 4-propoxybenzaldehyde Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C10H12O2.C8H8O2.C7H9N/c1-2-7-12-10-5-3-9(8-11)4-6-10;9-8(10)6-7-4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h3-6,8H,2,7H2,1H3;1-5H,6H2,(H,9,10);1-5H,6,8H2